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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H18O2
Molecular Weight 266.3343
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EQUILENIN

SMILES

[H][C@@]12CCC(=O)[C@@]1(C)CCC3=C4C=CC(O)=CC4=CC=C23

InChI

InChIKey=PDRGHUMCVRDZLQ-WMZOPIPTSA-N
InChI=1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3/t16-,18-/m0/s1

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Simultaneous azo-coupling method for an estrogen sulfatase in human tissues.
1983
The conserved cis-Pro39 residue plays a crucial role in the proper positioning of the catalytic base Asp38 in ketosteroid isomerase from Comamonas testosteroni.
2003 Oct 15
Patents
Name Type Language
EQUILENIN
MI  
Common Name English
3-HYDROXYESTRA-1,3,5,7,9-PENTAEN-17-ONE
Systematic Name English
EQUILENIN [MI]
Common Name English
NSC-9901
Code English
Code System Code Type Description
FDA UNII
W8FTJ17C4J
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
PRIMARY
MERCK INDEX
m4969
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID2052156
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
PRIMARY
WIKIPEDIA
EQUILENIN
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
PRIMARY
NSC
9901
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
PRIMARY
CHEBI
34739
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
PRIMARY
DRUG BANK
DB03515
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
PRIMARY
PUBCHEM
444865
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
PRIMARY
CAS
517-09-9
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
PRIMARY
ECHA (EC/EINECS)
208-230-5
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
PRIMARY