Actinorhodin (CED0006307)

Record Information

Version

1.0

Creation Date

2026-03-31 20:57:52 UTC

Update Date

2026-05-20 19:29:01 UTC

SynCED ID

CED0006307

Secondary Accession Numbers

CHEM057925

Identification

Common Name

Actinorhodin

Class

Small Molecule

Description

Actinorhodin is an organic compound with the chemical formula C32H26O14. Actinorhodin belongs to the lignans, neolignans and related compounds, a superclass within the organic compounds. This substance is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products, specifically antibiotics. Recorded exposure routes for this compound include inhalation and oral ingestion.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃₂H₂₆O₁₄

Average Molecular Mass

Not Available

Monoisotopic Mass

634.132 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C32H26O14/c1-9-21-15(3-11(45-9)5-19(35)36)29(41)23-17(33)7-13(27(39)25(23)31(21)43)14-8-18(34)24-26(28(14)40)32(44)22-10(2)46-12(6-20(37)38)4-16(22)30(24)42/h7-12,33-34,39-40H,3-6H2,1-2H3,(H,35,36)(H,37,38)/t9-,10-,11+,12+/m1/s1

InChI Key

VTIKDEXOEJDMJP-WYUUTHIRSA-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

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

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
6930.0 Log mg/kg [3900:12000]	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	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000306	Antibiotics?Antibiotics are synthetic or semi-synthetic compounds used to treat bacterial infections in humans and animals.	Healthcare, pharmaceuticals & veterinary products	Not Available
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	Not Available
CEDs000642	Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.	Textiles, leather & furnishings	Not Available
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	Not Available
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	Not Available
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	Not Available

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	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.27 Low confidence Statistical Significance 0.1486 Supporting Reference Compounds 343 E-value 1157.23
Click to view 3D structure	Squalene monooxygenase	P52020	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.245 Low confidence Statistical Significance 0.0011 Supporting Reference Compounds 12 E-value 8.56341
Click to view 3D structure	Cytochrome P450 1B1	Q16678	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.283 Low confidence Statistical Significance 0.0435 Supporting Reference Compounds 88 E-value 339.033
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.27 Low confidence Statistical Significance 0.2733 Supporting Reference Compounds 425 E-value 2127.85
Click to view 3D structure	Platelet-derived growth factor receptor alpha	P16234	Humans	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.243 Low confidence Statistical Significance 0.4559 Supporting Reference Compounds 519 E-value 3549.15
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.243 Low confidence Statistical Significance 0.6737 Supporting Reference Compounds 1660 E-value 5244.7
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.243 Low confidence Statistical Significance 0.6516 Supporting Reference Compounds 1274 E-value 5073.04
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.283 Low confidence Statistical Significance 0.363 Supporting Reference Compounds 406 E-value 2825.62
Click to view 3D structure	Vascular endothelial growth factor receptor 3	P35916	Humans	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.243 Low confidence Statistical Significance 0.5513 Supporting Reference Compounds 687 E-value 4291.67
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.239 Low confidence Statistical Significance 0.1698 Supporting Reference Compounds 174 E-value 1321.65
Click to view 3D structure	Mast/stem cell growth factor receptor Kit	P10721	Humans	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.236 Low confidence Statistical Significance 0.6308 Supporting Reference Compounds 905 E-value 4910.88
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.239 Low confidence Statistical Significance 0.1507 Supporting Reference Compounds 201 E-value 1173.5
Click to view 3D structure	Aromatase	P11511	Humans	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.234 Low confidence Statistical Significance 0.0859 Supporting Reference Compounds 127 E-value 668.803
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.236 Low confidence Statistical Significance 0.7118 Supporting Reference Compounds 1130 E-value 5541.7
Click to view 3D structure	Mediator of RNA polymerase II transcription subunit 25	Q71SY5	Humans	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.219 Low confidence Statistical Significance 5.20e-04 Supporting Reference Compounds 1 E-value 4.04816
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P15121	Humans	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.247 Low confidence Statistical Significance 0.0808 Supporting Reference Compounds 84 E-value 629.022
Click to view 3D structure	P2Y purinoceptor 12	Q9H244	Humans	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.247 Low confidence Statistical Significance 0.0251 Supporting Reference Compounds 49 E-value 195.168
Click to view 3D structure	Mitogen-activated protein kinase 1	P28482	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.236 Low confidence Statistical Significance 0.6475 Supporting Reference Compounds 763 E-value 5040.58
Click to view 3D structure	Cytochrome P450 1A1	P04798	Humans	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.283 Low confidence Statistical Significance 0.0669 Supporting Reference Compounds 77 E-value 521.123
Click to view 3D structure	Gag-Pol polyprotein	Q7ZJM1	Human immunodeficiency virus 1	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.238 Low confidence Statistical Significance 0.0688 Supporting Reference Compounds 96 E-value 535.758
Click to view 3D structure	NS3	A3EZJ3	Hepatitis C virus	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.224 Low confidence Statistical Significance 0.0704 Supporting Reference Compounds 70 E-value 547.747
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.283 Low confidence Statistical Significance 0.2919 Supporting Reference Compounds 241 E-value 2272.81
Click to view 3D structure	Beta-secretase 1	P56817	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.237 Low confidence Statistical Significance 0.2618 Supporting Reference Compounds 163 E-value 2037.78
Click to view 3D structure	Ephrin type-B receptor 4	P54760	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.236 Low confidence Statistical Significance 0.4126 Supporting Reference Compounds 259 E-value 3212.14
Click to view 3D structure	ALK tyrosine kinase receptor	Q9UM73	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.236 Low confidence Statistical Significance 0.7036 Supporting Reference Compounds 708 E-value 5477.86