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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H14O4
Molecular Weight 258.2693
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DAVIDIGENIN

SMILES

OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2)C=C1

InChI

InChIKey=UDGKKUWYNITJRX-UHFFFAOYSA-N
InChI=1S/C15H14O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-2,4-7,9,16-17,19H,3,8H2

HIDE SMILES / InChI

Molecular Formula C15H14O4
Molecular Weight 258.2693
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 16:35:52 UTC 2023
Edited
by admin
on Sat Dec 16 16:35:52 UTC 2023
Record UNII
OML9B432G4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DAVIDIGENIN
Common Name English
1-PROPANONE, 1-(2,4-DIHYDROXYPHENYL)-3-(4-HYDROXYPHENYL)-
Systematic Name English
2',4,4'-TRIHYDROXYDIHYDROCHALCONE
Common Name English
ISOLIQUIRITIGENIN METABOLITE M5
Common Name English
1-(2,4-DIHYDROXYPHENYL)-3-(4-HYDROXYPHENYL)-1-PROPANONE
Systematic Name English
Code System Code Type Description
PUBCHEM
442342
Created by admin on Sat Dec 16 16:35:52 UTC 2023 , Edited by admin on Sat Dec 16 16:35:52 UTC 2023
PRIMARY
FDA UNII
OML9B432G4
Created by admin on Sat Dec 16 16:35:52 UTC 2023 , Edited by admin on Sat Dec 16 16:35:52 UTC 2023
PRIMARY
CHEBI
27655
Created by admin on Sat Dec 16 16:35:52 UTC 2023 , Edited by admin on Sat Dec 16 16:35:52 UTC 2023
PRIMARY
CAS
23130-26-9
Created by admin on Sat Dec 16 16:35:52 UTC 2023 , Edited by admin on Sat Dec 16 16:35:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID60331802
Created by admin on Sat Dec 16 16:35:52 UTC 2023 , Edited by admin on Sat Dec 16 16:35:52 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN VITRO
MINOR