AFLATOXICOL

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H14O6
Molecular Weight	314.2895
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of AFLATOXICOL

Structure Search

SMILES

COC1=CC2=C([C@@H]3C=CO[C@@H]3O2)C4=C1C5=C([C@@H](O)CC5)C(=O)O4

InChI

InChIKey=WYIWLDSPNDMZIT-IRWWLHRVSA-N

InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8-9,17-18H,2-3H2,1H3/t8-,9-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H14O6
Molecular Weight	314.2895
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

PubMed

Title	Date	PubMed
Aflatoxin B1--a potential endocrine disruptor--up-regulates CYP19A1 in JEG-3 cells.	2011-05-10	21296134

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:15:35 GMT 2025` Edited by `admin` on `Mon Mar 31 19:15:35 GMT 2025`
Record UNII	45I1K5482V
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

AFLATOXIN R0

Preferred Name

English

AFLATOXICOL

Common Name

English

CYCLOPENTA(C)FURO(3',2':4,5)FURO(2,3-H)(1)BENZOPYRAN-11(1H)-ONE, 2,3,6A,9A-TETRAHYDRO-1-HYDROXY-4-METHOXY-, (1S,6AR,9AS)-

Common Name

English

Code System Code Type Description

SMS_ID

300000053028

Created by admin on Mon Mar 31 19:15:35 GMT 2025 , Edited by admin on Mon Mar 31 19:15:35 GMT 2025

PRIMARY

ECHA (EC/EINECS)

249-727-7

Created by admin on Mon Mar 31 19:15:35 GMT 2025 , Edited by admin on Mon Mar 31 19:15:35 GMT 2025

PRIMARY

EPA CompTox

DTXSID4020034

Created by admin on Mon Mar 31 19:15:35 GMT 2025 , Edited by admin on Mon Mar 31 19:15:35 GMT 2025

PRIMARY

FDA UNII

45I1K5482V

Created by admin on Mon Mar 31 19:15:35 GMT 2025 , Edited by admin on Mon Mar 31 19:15:35 GMT 2025

PRIMARY

PUBCHEM

104744

Created by admin on Mon Mar 31 19:15:35 GMT 2025 , Edited by admin on Mon Mar 31 19:15:35 GMT 2025

PRIMARY

MESH

C012170

Created by admin on Mon Mar 31 19:15:35 GMT 2025 , Edited by admin on Mon Mar 31 19:15:35 GMT 2025

PRIMARY

CAS

29611-03-8

Created by admin on Mon Mar 31 19:15:35 GMT 2025 , Edited by admin on Mon Mar 31 19:15:35 GMT 2025

PRIMARY