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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 BUTEIN

SMILES

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

InChI

InChIKey=AYMYWHCQALZEGT-ORCRQEGFSA-N
InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
BUTEIN
Common Name English
2-PROPEN-1-ONE, 1-(2,4-DIHYDROXYPHENYL)-3-(3,4-DIHYDROXYPHENYL)-
Systematic Name English
2',3,4,4'-TETRAHYDROXYCHALCONE
Systematic Name English
3,4,2',4'-TETRAHYDROXYCHALCONE
Systematic Name English
2-PROPEN-1-ONE, 1-(2,4-DIHYDROXYPHENYL)-3-(3,4-DIHYDROXYPHENYL)-, (2E)-
Systematic Name English
NSC-652892
Code English
TETRAHYDROXYCHALCONE, 3,4,2',4'-
Systematic Name English
2',4',3,4-TETRAHYDROXYCHALCONE
Systematic Name English
CHALCONE, 2',3,4,4'-TETRAHYDROXY-
Systematic Name English
2-PROPEN-1-ONE, 1-(2,4-DIHYDROXYPHENYL)-3-(3,4-DIHYDROXYPHENYL)-, (E)-
Systematic Name English
ISOLIQUIRITIGENIN METABOLITE M4
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1967
Created by admin on Fri Dec 15 17:48:35 UTC 2023 , Edited by admin on Fri Dec 15 17:48:35 UTC 2023
Code System Code Type Description
FDA UNII
4WVS5M0LGF
Created by admin on Fri Dec 15 17:48:35 UTC 2023 , Edited by admin on Fri Dec 15 17:48:35 UTC 2023
PRIMARY
PUBCHEM
5281222
Created by admin on Fri Dec 15 17:48:35 UTC 2023 , Edited by admin on Fri Dec 15 17:48:35 UTC 2023
PRIMARY
EPA CompTox
DTXSID101025569
Created by admin on Fri Dec 15 17:48:35 UTC 2023 , Edited by admin on Fri Dec 15 17:48:35 UTC 2023
PRIMARY
CAS
21849-70-7
Created by admin on Fri Dec 15 17:48:35 UTC 2023 , Edited by admin on Fri Dec 15 17:48:35 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
487-52-5
Created by admin on Fri Dec 15 17:48:35 UTC 2023 , Edited by admin on Fri Dec 15 17:48:35 UTC 2023
PRIMARY
NCI_THESAURUS
C1028
Created by admin on Fri Dec 15 17:48:35 UTC 2023 , Edited by admin on Fri Dec 15 17:48:35 UTC 2023
PRIMARY
WIKIPEDIA
BUTEIN
Created by admin on Fri Dec 15 17:48:35 UTC 2023 , Edited by admin on Fri Dec 15 17:48:35 UTC 2023
PRIMARY
CHEBI
3237
Created by admin on Fri Dec 15 17:48:35 UTC 2023 , Edited by admin on Fri Dec 15 17:48:35 UTC 2023
PRIMARY
ECHA (EC/EINECS)
207-659-5
Created by admin on Fri Dec 15 17:48:35 UTC 2023 , Edited by admin on Fri Dec 15 17:48:35 UTC 2023
PRIMARY
NSC
652892
Created by admin on Fri Dec 15 17:48:35 UTC 2023 , Edited by admin on Fri Dec 15 17:48:35 UTC 2023
PRIMARY
ACTIVE MOIETY
Structure of BUTEIN
PARENT (METABOLITE)
Structure of TRIHYDROXYCHALCONE
NIH
NCATS
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