U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16O3
Molecular Weight 256.2964
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-O-METHYL EQUOL

SMILES

COC1=CC=C(C=C1)[C@H]2COC3=CC(O)=CC=C3C2

InChI

InChIKey=FPRFNXQLWQOWED-CYBMUJFWSA-N
InChI=1S/C16H16O3/c1-18-15-6-3-11(4-7-15)13-8-12-2-5-14(17)9-16(12)19-10-13/h2-7,9,13,17H,8,10H2,1H3/t13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H16O3
Molecular Weight 256.2964
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:50:58 GMT 2025
Edited
by admin
on Wed Apr 02 05:50:58 GMT 2025
Record UNII
E33K9GD72F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-O-METHYL EQUOL
Common Name English
(3S)-3-(4-METHOXYPHENYL)-3,4-DIHYDRO-2H-CHROMEN-7-OL
Preferred Name English
2H-1-BENZOPYRAN-7-OL, 3,4-DIHYDRO-3-(4-METHOXYPHENYL)-, (S)-
Systematic Name English
Code System Code Type Description
CAS
61514-94-1
Created by admin on Wed Apr 02 05:50:58 GMT 2025 , Edited by admin on Wed Apr 02 05:50:58 GMT 2025
PRIMARY
PUBCHEM
6454212
Created by admin on Wed Apr 02 05:50:58 GMT 2025 , Edited by admin on Wed Apr 02 05:50:58 GMT 2025
PRIMARY
FDA UNII
E33K9GD72F
Created by admin on Wed Apr 02 05:50:58 GMT 2025 , Edited by admin on Wed Apr 02 05:50:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID80210509
Created by admin on Wed Apr 02 05:50:58 GMT 2025 , Edited by admin on Wed Apr 02 05:50:58 GMT 2025
PRIMARY