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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H16O5
Molecular Weight 324.3273
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-METHOXYPHENYL)-2-METHYL-4-OXO-4H-CHROMEN-7-YL ACETATE

SMILES

COC1=CC=C(C=C1)C2=C(C)OC3=C(C=CC(OC(C)=O)=C3)C2=O

InChI

InChIKey=KGJXTDUSFWAIMJ-UHFFFAOYSA-N
InChI=1S/C19H16O5/c1-11-18(13-4-6-14(22-3)7-5-13)19(21)16-9-8-15(24-12(2)20)10-17(16)23-11/h4-10H,1-3H3

HIDE SMILES / InChI

Molecular Formula C19H16O5
Molecular Weight 324.3273
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 Sat Dec 16 13:01:15 GMT 2023
Edited
by admin
on Sat Dec 16 13:01:15 GMT 2023
Record UNII
QJO87EIT01
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-METHOXYPHENYL)-2-METHYL-4-OXO-4H-CHROMEN-7-YL ACETATE
Systematic Name English
NSC-93361
Code English
4H-1-BENZOPYRAN-4-ONE, 7-(ACETYLOXY)-3-(4-METHOXYPHENYL)-2-METHYL-
Systematic Name English
7-(ACETYLOXY)-3-(4-METHOXYPHENYL)-2-METHYL-4H-1-BENZOPYRAN-4-ONE
Systematic Name English
ISOFLAVONE, 7-HYDROXY-4'-METHOXY-2-METHYL-, ACETATE
Systematic Name English
Code System Code Type Description
FDA UNII
QJO87EIT01
Created by admin on Sat Dec 16 13:01:15 GMT 2023 , Edited by admin on Sat Dec 16 13:01:15 GMT 2023
PRIMARY
PUBCHEM
261367
Created by admin on Sat Dec 16 13:01:15 GMT 2023 , Edited by admin on Sat Dec 16 13:01:15 GMT 2023
PRIMARY
NSC
93361
Created by admin on Sat Dec 16 13:01:15 GMT 2023 , Edited by admin on Sat Dec 16 13:01:15 GMT 2023
PRIMARY
CAS
70460-66-1
Created by admin on Sat Dec 16 13:01:15 GMT 2023 , Edited by admin on Sat Dec 16 13:01:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID10220737
Created by admin on Sat Dec 16 13:01:15 GMT 2023 , Edited by admin on Sat Dec 16 13:01:15 GMT 2023
PRIMARY