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Details

Stereochemistry ACHIRAL
Molecular Formula C15H12O5
Molecular Weight 272.2528
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-HYDROXYPHENYL)-1-(2,4,5-TRIHYDROXYPHENYL)-2-PROPEN-1-ONE

SMILES

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

InChI

InChIKey=BWFBUWODVNLGFS-ZZXKWVIFSA-N
InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(17)11-7-14(19)15(20)8-13(11)18/h1-8,16,18-20H/b6-3+

HIDE SMILES / InChI

Molecular Formula C15H12O5
Molecular Weight 272.2528
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:57:26 GMT 2023
Edited
by admin
on Sat Dec 16 15:57:26 GMT 2023
Record UNII
TBB58K9NW4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-HYDROXYPHENYL)-1-(2,4,5-TRIHYDROXYPHENYL)-2-PROPEN-1-ONE
Systematic Name English
2-PROPEN-1-ONE, 3-(4-HYDROXYPHENYL)-1-(2,4,5-TRIHYDROXYPHENYL)-, (2E)-
Systematic Name English
2-PROPEN-1-ONE, 3-(4-HYDROXYPHENYL)-1-(2,4,5-TRIHYDROXYPHENYL)-
Systematic Name English
ISOLIQUIRITIGENIN METABOLITE M2
Common Name English
Code System Code Type Description
CAS
1014976-78-3
Created by admin on Sat Dec 16 15:57:26 GMT 2023 , Edited by admin on Sat Dec 16 15:57:26 GMT 2023
PRIMARY
PUBCHEM
134138672
Created by admin on Sat Dec 16 15:57:26 GMT 2023 , Edited by admin on Sat Dec 16 15:57:26 GMT 2023
PRIMARY
FDA UNII
TBB58K9NW4
Created by admin on Sat Dec 16 15:57:26 GMT 2023 , Edited by admin on Sat Dec 16 15:57:26 GMT 2023
PRIMARY
CAS
2071711-38-9
Created by admin on Sat Dec 16 15:57:26 GMT 2023 , Edited by admin on Sat Dec 16 15:57:26 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
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