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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H8O5
Molecular Weight 268.221
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COUMESTROL

SMILES

OC1=CC=C2C(OC3=C2C(=O)OC4=C3C=CC(O)=C4)=C1

InChI

InChIKey=ZZIALNLLNHEQPJ-UHFFFAOYSA-N
InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H

HIDE SMILES / InChI

Molecular Formula C15H8O5
Molecular Weight 268.221
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:18:18 UTC 2023
Edited
by admin
on Fri Dec 15 17:18:18 UTC 2023
Record UNII
V7NW98OB34
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COUMESTROL
MI  
Common Name English
3,9-DIHYDROXY-6H-BENZOFURO(3,2-C)(1)BENZOPYRAN-6-ONE
Systematic Name English
CUMOSTROL
Common Name English
CUMOESTROL
Common Name English
NSC-22842
Code English
COUMESTROL [MI]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C68532
Created by admin on Fri Dec 15 17:18:19 UTC 2023 , Edited by admin on Fri Dec 15 17:18:19 UTC 2023
Code System Code Type Description
FDA UNII
V7NW98OB34
Created by admin on Fri Dec 15 17:18:19 UTC 2023 , Edited by admin on Fri Dec 15 17:18:19 UTC 2023
PRIMARY
PUBCHEM
5281707
Created by admin on Fri Dec 15 17:18:19 UTC 2023 , Edited by admin on Fri Dec 15 17:18:19 UTC 2023
PRIMARY
EPA CompTox
DTXSID6022399
Created by admin on Fri Dec 15 17:18:19 UTC 2023 , Edited by admin on Fri Dec 15 17:18:19 UTC 2023
PRIMARY
CHEBI
3908
Created by admin on Fri Dec 15 17:18:19 UTC 2023 , Edited by admin on Fri Dec 15 17:18:19 UTC 2023
PRIMARY
WIKIPEDIA
COUMESTROL
Created by admin on Fri Dec 15 17:18:19 UTC 2023 , Edited by admin on Fri Dec 15 17:18:19 UTC 2023
PRIMARY
ECHA (EC/EINECS)
207-525-6
Created by admin on Fri Dec 15 17:18:19 UTC 2023 , Edited by admin on Fri Dec 15 17:18:19 UTC 2023
PRIMARY
NSC
22842
Created by admin on Fri Dec 15 17:18:19 UTC 2023 , Edited by admin on Fri Dec 15 17:18:19 UTC 2023
PRIMARY
MERCK INDEX
m3822
Created by admin on Fri Dec 15 17:18:19 UTC 2023 , Edited by admin on Fri Dec 15 17:18:19 UTC 2023
PRIMARY Merck Index
CAS
479-13-0
Created by admin on Fri Dec 15 17:18:19 UTC 2023 , Edited by admin on Fri Dec 15 17:18:19 UTC 2023
PRIMARY
NCI_THESAURUS
C93321
Created by admin on Fri Dec 15 17:18:19 UTC 2023 , Edited by admin on Fri Dec 15 17:18:19 UTC 2023
PRIMARY
MESH
D003375
Created by admin on Fri Dec 15 17:18:19 UTC 2023 , Edited by admin on Fri Dec 15 17:18:19 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT