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Details

Stereochemistry ACHIRAL
Molecular Formula C20H20O7
Molecular Weight 372.3686
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2',4',5,7-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)isoflavone

SMILES

CC(C)(O)CCC1=C(O)C=C(O)C2=C1OC=C(C2=O)C3=C(O)C=C(O)C=C3

InChI

InChIKey=YPJVZUCLYTYXEP-UHFFFAOYSA-N
InChI=1S/C20H20O7/c1-20(2,26)6-5-12-15(23)8-16(24)17-18(25)13(9-27-19(12)17)11-4-3-10(21)7-14(11)22/h3-4,7-9,21-24,26H,5-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C20H20O7
Molecular Weight 372.3686
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 Mon Mar 31 21:53:43 GMT 2025
Edited
by admin
on Mon Mar 31 21:53:43 GMT 2025
Record UNII
MCM4UR7CKC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-4H-1-benzopyran-4-one
Preferred Name English
2',4',5,7-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)isoflavone
Systematic Name English
4H-1-Benzopyran-4-one, 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-
Systematic Name English
Code System Code Type Description
FDA UNII
MCM4UR7CKC
Created by admin on Mon Mar 31 21:53:43 GMT 2025 , Edited by admin on Mon Mar 31 21:53:43 GMT 2025
PRIMARY
CAS
104691-93-2
Created by admin on Mon Mar 31 21:53:43 GMT 2025 , Edited by admin on Mon Mar 31 21:53:43 GMT 2025
PRIMARY
PUBCHEM
10904774
Created by admin on Mon Mar 31 21:53:43 GMT 2025 , Edited by admin on Mon Mar 31 21:53:43 GMT 2025
PRIMARY