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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22O5
Molecular Weight 354.3964
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isoxanthohumol, (-)-

SMILES

COC1=C2C(=O)C[C@H](OC2=C(CC=C(C)C)C(O)=C1)C3=CC=C(O)C=C3

InChI

InChIKey=YKGCBLWILMDSAV-SFHVURJKSA-N
InChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H22O5
Molecular Weight 354.3964
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 06:26:50 GMT 2025
Edited
by admin
on Wed Apr 02 06:26:50 GMT 2025
Record UNII
X4YHZ98N7Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Isoxanthohumol, (-)-
Common Name English
(-)-Isoxanthohumol
Preferred Name English
4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-buten-1-yl)-, (2S)-
Systematic Name English
(2S)-2-(4-HYDROXYPHENYL)-5-METHOXY-8-(3-METHYLBUT-2-ENYL)-7-OXIDANYL-2,3-DIHYDROCHROMEN-4-ONE
Systematic Name English
Isoxanthohumol (Sophora)
Common Name English
(2S)-7-Hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Isoxanthohumol
Created by admin on Wed Apr 02 06:26:50 GMT 2025 , Edited by admin on Wed Apr 02 06:26:50 GMT 2025
PRIMARY
EPA CompTox
DTXSID101045280
Created by admin on Wed Apr 02 06:26:50 GMT 2025 , Edited by admin on Wed Apr 02 06:26:50 GMT 2025
PRIMARY
PUBCHEM
9928523
Created by admin on Wed Apr 02 06:26:50 GMT 2025 , Edited by admin on Wed Apr 02 06:26:50 GMT 2025
PRIMARY
FDA UNII
X4YHZ98N7Q
Created by admin on Wed Apr 02 06:26:50 GMT 2025 , Edited by admin on Wed Apr 02 06:26:50 GMT 2025
PRIMARY
CAS
70872-29-6
Created by admin on Wed Apr 02 06:26:50 GMT 2025 , Edited by admin on Wed Apr 02 06:26:50 GMT 2025
PRIMARY