Aphidicolin (CED0003669)

Record Information

Version

1.0

Creation Date

2026-03-31 21:07:52 UTC

Update Date

2026-05-14 20:04:43 UTC

Accession Number

CHEM057960

Identification

Common Name

Aphidicolin

Class

Small Molecule

Description

Aphidicolin is an organic compound with the formula C20H34O4 and an average molecular weight of 338.49 g/mol. Aphidicolin belongs to the diterpenoids, a subclass of prenol lipids within the organic compounds. It acts as an inhibitor of the DNA polymerase catalytic subunit. This compound is found in or released from antibiotics used in healthcare, pharmaceuticals, and veterinary products. Recorded exposure routes for this substance include inhalation and oral administration.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₀H₃₄O₄

Average Molecular Mass

338.488 g/mol

Monoisotopic Mass

338.246 g/mol

CAS Registry Number

38966-21-1;69926-98-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@]21CC[C@]3(O)CO

InChI Identifier

InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1

InChI Key

NOFOAYPPHIUXJR-APNQCZIXSA-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

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum	splash10-01b9-2910010000-98002670ebd7622a882e	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
2031.0	Log mg/kg	[1100:3600]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
10	Insecticides	Agriculture & land management	Not Available
306	Antibiotics	Healthcare, pharmaceuticals & veterinary products	Not Available
556	Cigar Cigarettes	Household cleaning & consumer products	Not Available
561	Perfumes Within Detergents And Soaps	Household cleaning & consumer products	Not Available
569	Tobacco Smoke Filters	Household cleaning & consumer products	Not Available
580	Manufacture Preparation Of Tobacco Products	Industrial manufacturing & chemical processing	Not Available
596	Acaricides	Agriculture & land management	Not Available
602	Molluscicides	Agriculture & land management	Not Available
603	Nematocides	Agriculture & land management	Not Available
606	Plant Growth Regulators	Agriculture & land management	Not Available
614	Essential Oils Or Perfumes	Personal care & cosmetics	Not Available
679	Phosphatic Fertilisers	Agriculture & land management	Not Available
685	Ceramics	Building & Construction	Not Available
696	Nanotechnology	Industrial manufacturing & chemical processing	Not Available

Pathways

0 pathways

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	DNA polymerase catalytic subunit	P28857	Human herpesvirus 6A (strain Uganda-1102) (HHV-6 variant A) (Human Blymphotropic virus)	Predicted (SEA)	0.0778492
Click to view 3D structure	DNA polymerase catalytic subunit	P04292	Human herpesvirus 1 (strain KOS) (HHV-1) (Human herpes simplex virus1)	Predicted (SEA)	0.0778492
Click to view 3D structure	DNA polymerase alpha catalytic subunit	P09884	Humans	Predicted (SEA)	1.08989
Click to view 3D structure	DNA polymerase catalytic subunit	P04293	HHV-1	Predicted (SEA)	0.233548
Click to view 3D structure	S-adenosyl-L-methionine:delta24-sterol-C-methyltransferase	Q43445	Glycine max	Predicted (SEA)	0.311397
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	309.762
Click to view 3D structure	Bile acid receptor	Q96RI1	Humans	Predicted (SEA)	275.119
Click to view 3D structure	DNA polymerase catalytic subunit	P09252	HHV-3	Predicted (SEA)	0.311397
Click to view 3D structure	DNA polymerase catalytic subunit	P08546	HHV-5	Predicted (SEA)	0.311397
Click to view 3D structure	G-protein coupled bile acid receptor 1	Q8TDU6	Humans	Predicted (SEA)	134.134
Click to view 3D structure	Potassium-transporting ATPase alpha chain 2	P54707	Humans	Predicted (SEA)	5.44945
Click to view 3D structure	Aldo-keto reductase family 1 member B10	O60218	Humans	Predicted (SEA)	465.694
Click to view 3D structure	Maltase-glucoamylase	O43451	Humans	Predicted (SEA)	22.0313
Click to view 3D structure	4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase FUT5	Q11128	Humans	Predicted (SEA)	2.95827
Click to view 3D structure	Transcription factor p65	Q04206	Humans	Predicted (SEA)	220.547
Click to view 3D structure	FUN14 domain-containing protein 1	Q8IVP5	Humans	Predicted (SEA)	7.94062
Click to view 3D structure	Sucrase-isomaltase, intestinal	P14410	Humans	Predicted (SEA)	9.809
Click to view 3D structure	Glucocorticoid receptor	P04150	Humans	Predicted (SEA)	2402.74
Click to view 3D structure	Sucrase-isomaltase, intestinal	P23739	Rattus norvegicus	Predicted (SEA)	18.9174
Click to view 3D structure	E3 ubiquitin-protein ligase ZFP91	Q96JP5	Humans	Predicted (SEA)	25.6902
Click to view 3D structure	Sex hormone-binding globulin	P04278	Humans	Predicted (SEA)	77.3043
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	2901.83
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	3732.25
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	3930.69
Click to view 3D structure	Tissue factor	P13726	Humans	Predicted (SEA)	790.014