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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H22O10
Molecular Weight 458.4148
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6''-O-ACETYLDAIDZIN

SMILES

CC(=O)OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(=COC3=C2)C4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=ZMOZJTDOTOZVRT-DODNOZFWSA-N
InChI=1S/C23H22O10/c1-11(24)30-10-18-20(27)21(28)22(29)23(33-18)32-14-6-7-15-17(8-14)31-9-16(19(15)26)12-2-4-13(25)5-3-12/h2-9,18,20-23,25,27-29H,10H2,1H3/t18-,20-,21+,22-,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H22O10
Molecular Weight 458.4148
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:21:15 GMT 2023
Edited
by admin
on Fri Dec 15 16:21:15 GMT 2023
Record UNII
D36K493J05
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6''-O-ACETYLDAIDZIN
Common Name English
ACETYL DAIDZIN (CONSTITUENT OF SOY ISOFLAVONES) [DSC]
Common Name English
DAIDZIN 6''-O-ACETATE
Common Name English
3-(4-HYDROXYPHENYL)-4-OXO-4H-CHROMEN-7-YL 6-O-ACETYL-.BETA.-D-GLUCOPYRANOSIDE
Systematic Name English
4H-1-BENZOPYRAN-4-ONE, 7-((6-O-ACETYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-3-(4-HYDROXYPHENYL)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID40991721
Created by admin on Fri Dec 15 16:21:15 GMT 2023 , Edited by admin on Fri Dec 15 16:21:15 GMT 2023
PRIMARY
PUBCHEM
156155
Created by admin on Fri Dec 15 16:21:15 GMT 2023 , Edited by admin on Fri Dec 15 16:21:15 GMT 2023
PRIMARY
CAS
71385-83-6
Created by admin on Fri Dec 15 16:21:15 GMT 2023 , Edited by admin on Fri Dec 15 16:21:15 GMT 2023
PRIMARY
FDA UNII
D36K493J05
Created by admin on Fri Dec 15 16:21:15 GMT 2023 , Edited by admin on Fri Dec 15 16:21:15 GMT 2023
PRIMARY
CHEBI
133395
Created by admin on Fri Dec 15 16:21:15 GMT 2023 , Edited by admin on Fri Dec 15 16:21:15 GMT 2023
PRIMARY