Phorbol 12-myristate 13-acetate diester (CED0002540)

Record Information

Version

1.0

Creation Date

2026-04-14 21:11:31 UTC

Update Date

2026-08-22 11:58:08 UTC

SynCED ID

CED0002540

Secondary Accession Numbers

CHEM134378

Identification

Common Name

Phorbol 12-myristate 13-acetate diester

Class

Small Molecule

Description

Phorbol 12-myristate 13-acetate diester belongs to the diterpenoids, a subclass of prenol lipids within the organic compounds. With an average molecular weight of 616.84 g/mol, Phorbol 12-myristate 13-acetate diester is a heavy molecule. Its chemical formula is C36H56O8. This compound is found in or released from ten recorded sources. These include food, food processing, and cookware, specifically the processing of fish and the preparation of wine or sparkling wine. Additionally, it is associated with electrical and electronic equipment, including magnets, antennas, amplifiers, colour television systems, and line transmission systems, among three other sources. In biological systems, Phorbol 12-myristate 13-acetate diester interacts with four recorded protein targets. It acts as an activator or inhibitor of the transient receptor potential cation channel subfamily V member 4 (TRPV4). Furthermore, it targets several potassium channels, specifically the G protein-activated inward rectifier potassium channel 4 (KCNJ5), potassium channel subfamily T member 1 (KCNT1), and potassium channel subfamily T member 2 (KCNT2).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃₆H₅₆O₈

Average Molecular Mass

616.836 g/mol

Monoisotopic Mass

616.398 g/mol

CAS Registry Number

16561-29-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[H][C@]12[C@]3([H])C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@H](C)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@]1(OC(C)=O)C2(C)C

InChI Identifier

InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1

InChI Key

PHEDXBVPIONUQT-RGYGYFBISA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

carcinogenic agent (PMC7244072 )?A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
agonist (PMC5575509 , PMC6801843 )?
chelator (PMC3926839 )?
activator (PMC6727218 )?
biomarker (PMC12255023 , PMC12255023 )?

Chemical Roles

Not Available

Organoleptic Effects

white colour ?
rubbery touch ?

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
650.0 Log mg/kg [370:1200]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference
cancer	Associated With?	Not Available	Cancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.	PMC8396440
edema	Associated With?	increase	A disorder characterized by swelling due to an excessive accumulation of fluid (NCI CTCAE)	PMC6271645
edema	Associated With?	Not Available	A disorder characterized by swelling due to an excessive accumulation of fluid (NCI CTCAE)	PMC6271645
dermatitis	Associated With?	Not Available	Not Available	PMC4816995
Cell Death	Associated With?	Not Available	Not Available	PMC12979112
Oxidative Stress	Associated With?	Not Available	Not Available	PMC4608598
infectious disease	Associated With?	Not Available	Not Available	PMC12255023
thrombotic disease	Associated With?	Not Available	Not Available	PMC12255023
skin neoplasm	Associated With?	Not Available	Not Available	PMC4457504

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000014	Compost?Compost, while primarily used as an organic soil amendment to enhance fertility and improve soil structure, can become a source of synthetic chemical contamination.	Agriculture & land management	PMC13171638
CEDs000468	Industrial wastewater?Industrial wastewater is a byproduct generated during various manufacturing and processing activities, which often contains a complex mixture of organic and inorganic synthetic chemicals.	Wastewater, sanitation & biosolids	PMC11938130
CEDs000505	Amplifiers?Amplifiers, commonly used in various electronic devices to enhance signal strength, can be a source of synthetic chemical contamination due to the materials and processes involved in their production and disposal.	Electrical & Electronic Equipment	PubChem
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	Electrical & Electronic Equipment	PubChem
CEDs000509	Colour Television Systems?Colour television systems contain various synthetic chemicals that can lead to environmental contamination.	Electrical & Electronic Equipment	PubChem
CEDs000525	Line Transmission Systems?Line Transmission Systems, commonly used for the distribution of electrical energy, can be a source of synthetic chemical contamination through the insulation materials and coatings utilized in their construction.	Electrical & Electronic Equipment	PubChem
CEDs000527	Magnets?Magnets, commonly used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials used in their production.	Electrical & Electronic Equipment	PubChem
CEDs000530	Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.	Electrical & Electronic Equipment	PubChem
CEDs000537	Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.	Electrical & Electronic Equipment	PubChem
CEDs000539	Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.	Electrical & Electronic Equipment	PubChem
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000549	Preparation Of Wine Or Sparkling Wine?The preparation of wine or sparkling wine involves various stages, including fermentation, aging, and bottling, which can introduce potential sources of synthetic chemical contamination.	Food, food processing & cookware	PubChem
CEDs000551	Processing Fish?Processing fish can lead to synthetic chemical contamination through various stages of production and preservation.	Food, food processing & cookware	PubChem
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	PubChem
CEDs000563	Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.	Household cleaning & consumer products	PubChem
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	PubChem
CEDs000581	Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.	Industrial manufacturing & chemical processing	PubChem
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	PubChem
CEDs000609	Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.	Personal care & cosmetics	PubChem
CEDs000610	Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.	Personal care & cosmetics	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000613	Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.	Personal care & cosmetics	PubChem
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	Personal care & cosmetics	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000617	Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000650	Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.	Textiles, leather & furnishings	PubChem
CEDs000652	Ropes?Ropes manufactured from synthetic fibers, such as polypropylene, nylon, and polyester, are widely used in various applications, including marine, construction, and outdoor activities.	Textiles, leather & furnishings	PubChem
CEDs000662	Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.	Textiles, leather & furnishings	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000693	Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000699	Mining Or Quarrying?Mining and quarrying operations can lead to synthetic chemical contamination through the release of various pollutants associated with the extraction and processing of minerals.	Mining & metal processing	PubChem
CEDs000727	Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.	Paper, pulp & fiber products	PubChem
CEDs000732	Spectacle Cases?Spectacle cases can serve as a source of synthetic chemical contamination due to the materials used in their production, such as polycarbonate, PVC, and various plastics, which may leach harmful substances over time.	Healthcare, pharmaceuticals & veterinary products	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	PubChem
CEDs000742	Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.	Textiles, leather & furnishings	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem
CEDs01148	Milk	Food, food processing & cookware	PMC4921084
CEDs01386	Pet Food	Food, food processing & cookware	PMC13292772
CEDs01402	Cheese Whey	Food, food processing & cookware	PMC11286673
CEDs01529	Sugarcane Juice	Food, food processing & cookware	PMC11286673
CEDs02108	Plastic Wastes	Waste management, landfill & incineration	PMC10344914
CEDs02743	Asphalt Mixtures	Building & Construction	PMC10532884
CEDs02959	Petroleum	Energy, oil & gas	PMC13171638

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Protein unc-13 homolog B	O14795	Humans	Known	Not Available
Click to view 3D structure	Proto-oncogene vav	P15498	Humans	Predicted (SEA)	Prediction Confidence Score 0.8 Applicability Domain 0.8 Statistical Significance 1.00e-05 Supporting Reference Compounds 1 E-value 0.0778492
Click to view 3D structure	Protein kinase C gamma type	P05129	Humans	Predicted (SEA)	Prediction Confidence Score 0.601 Applicability Domain 1.0 Statistical Significance 6.30e-04 Supporting Reference Compounds 552 E-value 4.9045
Click to view 3D structure	Protein kinase C alpha type	P17252	Humans	Predicted (SEA)	Prediction Confidence Score 0.511 Applicability Domain 1.0 Statistical Significance 0.0011 Supporting Reference Compounds 258 E-value 8.40772
Click to view 3D structure	Protein kinase C epsilon type	Q02156	Humans	Predicted (SEA)	Prediction Confidence Score 0.492 Applicability Domain 1.0 Statistical Significance 0.0011 Supporting Reference Compounds 189 E-value 8.64126
Click to view 3D structure	Protein kinase C delta type	Q05655	Humans	Predicted (SEA)	Prediction Confidence Score 0.483 Applicability Domain 1.0 Statistical Significance 0.0033 Supporting Reference Compounds 681 E-value 25.4567
Click to view 3D structure	Protein kinase C beta type	P05771	Humans	Predicted (SEA)	Prediction Confidence Score 0.472 Applicability Domain 1.0 Statistical Significance 7.80e-04 Supporting Reference Compounds 175 E-value 6.07224
Click to view 3D structure	Protein kinase C theta type	Q04759	Humans	Predicted (SEA)	Prediction Confidence Score 0.468 Applicability Domain 1.0 Statistical Significance 0.0021 Supporting Reference Compounds 356 E-value 16.0369
Click to view 3D structure	Protein kinase C alpha type	P04409	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.379 Applicability Domain 0.8 Statistical Significance 3.00e-05 Supporting Reference Compounds 8 E-value 0.233548
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 4	Q9EPK8	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.348 Applicability Domain 0.912 Statistical Significance 1.00e-05 Supporting Reference Compounds 3 E-value 0.0778492
Click to view 3D structure	Protein kinase C eta type	P23298	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.332 Applicability Domain 0.8 Statistical Significance 2.00e-05 Supporting Reference Compounds 3 E-value 0.155698
Click to view 3D structure	Ras guanyl-releasing protein 3	Q8IV61	Humans	Predicted (SEA)	Prediction Confidence Score 0.31 Applicability Domain 1.0 Statistical Significance 5.20e-04 Supporting Reference Compounds 9 E-value 4.04816
Click to view 3D structure	Luciferin 4-monooxygenase	P08659	Photinus pyralis	Predicted (SEA)	Prediction Confidence Score 0.309 Applicability Domain 1.0 Statistical Significance 0.0074 Supporting Reference Compounds 114 E-value 57.842
Click to view 3D structure	Protein kinase C delta type	P28867	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.8 Statistical Significance 6.10e-04 Supporting Reference Compounds 12 E-value 4.7488
Click to view 3D structure	Protein kinase C eta type	P24723	Humans	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.8 Statistical Significance 0.0281 Supporting Reference Compounds 145 E-value 219.146
Click to view 3D structure	Sarcoplasmic/endoplasmic reticulum calcium ATPase 1	O14983	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.313 Statistical Significance 5.00e-05 Supporting Reference Compounds 3 E-value 0.389246
Click to view 3D structure	DNA-directed DNA/RNA polymerase mu	Q9NP87	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.253 Low confidence Statistical Significance 0.0027 Supporting Reference Compounds 1 E-value 20.9414
Click to view 3D structure	DNA nucleotidylexotransferase	P06526	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.253 Low confidence Statistical Significance 0.0027 Supporting Reference Compounds 1 E-value 20.9414
Click to view 3D structure	Protein kinase C gamma type	P63319	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.8 Statistical Significance 0.0018 Supporting Reference Compounds 13 E-value 14.2464
Click to view 3D structure	DNA polymerase iota	Q6R3M4	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.253 Low confidence Statistical Significance 0.0031 Supporting Reference Compounds 2 E-value 23.9776
Click to view 3D structure	Platelet glycoprotein 4	P16671	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.22 Low confidence Statistical Significance 0.0024 Supporting Reference Compounds 1 E-value 18.4503
Click to view 3D structure	Transcriptional activator protein LasR	P25084	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.22 Low confidence Statistical Significance 0.0064 Supporting Reference Compounds 12 E-value 49.9792
Click to view 3D structure	Acidic phospholipase A2 CM-I	P00602	Naja mossambica	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.209 Low confidence Statistical Significance 0.0221 Supporting Reference Compounds 1 E-value 171.891
Click to view 3D structure	Mitochondrial carnitine/acylcarnitine carrier protein	O43772	Humans	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.205 Low confidence Statistical Significance 0.0027 Supporting Reference Compounds 1 E-value 20.7857
Click to view 3D structure	M-phase inducer phosphatase 2	P30306	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.218 Low confidence Statistical Significance 0.0047 Supporting Reference Compounds 4 E-value 36.7448
Click to view 3D structure	Carnitine palmitoyltransferase 1A	Q9MYX2	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.205 Low confidence Statistical Significance 0.0051 Supporting Reference Compounds 2 E-value 40.0145
Click to view 3D structure	Cytochrome P450 7A1	P22680	Humans	Known	Not Available
Click to view 3D structure	Phospholipase A2	P04054	Humans	Known	Not Available
Click to view 3D structure	Flavin-containing monooxygenase 5	P49326	Humans	Known	Not Available