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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H14O6
Molecular Weight 290.2681
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(3,4-DIHYDROXYPHENYL)-1-(2,3,4-TRIHYDROXYPHENYL)-1-PROPANONE

SMILES

OC1=CC=C(C(=O)CCC2=CC(O)=C(O)C=C2)C(O)=C1O

InChI

InChIKey=CISQVWHIYYYZMR-UHFFFAOYSA-N
InChI=1S/C15H14O6/c16-10(9-3-6-12(18)15(21)14(9)20)4-1-8-2-5-11(17)13(19)7-8/h2-3,5-7,17-21H,1,4H2

HIDE SMILES / InChI

Molecular Formula C15H14O6
Molecular Weight 290.2681
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 Tue Apr 01 19:40:38 GMT 2025
Edited
by admin
on Tue Apr 01 19:40:38 GMT 2025
Record UNII
YJG86SC2Q7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-309121
Preferred Name English
3-(3,4-DIHYDROXYPHENYL)-1-(2,3,4-TRIHYDROXYPHENYL)-1-PROPANONE
Systematic Name English
2',3,3',4,4'-PENTAHYDROXYDIHYDROCHALCONE
Systematic Name English
1-PROPANONE, 3-(3,4-DIHYDROXYPHENYL)-1-(2,3,4-TRIHYDROXYPHENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
YJG86SC2Q7
Created by admin on Tue Apr 01 19:40:38 GMT 2025 , Edited by admin on Tue Apr 01 19:40:38 GMT 2025
PRIMARY
CAS
72666-14-9
Created by admin on Tue Apr 01 19:40:38 GMT 2025 , Edited by admin on Tue Apr 01 19:40:38 GMT 2025
PRIMARY
EPA CompTox
DTXSID70222979
Created by admin on Tue Apr 01 19:40:38 GMT 2025 , Edited by admin on Tue Apr 01 19:40:38 GMT 2025
PRIMARY
NSC
309121
Created by admin on Tue Apr 01 19:40:38 GMT 2025 , Edited by admin on Tue Apr 01 19:40:38 GMT 2025
PRIMARY
PUBCHEM
73059
Created by admin on Tue Apr 01 19:40:38 GMT 2025 , Edited by admin on Tue Apr 01 19:40:38 GMT 2025
PRIMARY