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Details

Stereochemistry ACHIRAL
Molecular Formula C21H22O4
Molecular Weight 338.397
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of LICOCHALCONE A

SMILES

COC1=C(\C=C\C(=O)C2=CC=C(O)C=C2)C=C(C(O)=C1)C(C)(C)C=C

InChI

InChIKey=KAZSKMJFUPEHHW-DHZHZOJOSA-N
InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+

HIDE SMILES / InChI

Molecular Formula C21H22O4
Molecular Weight 338.397
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 04:19:05 UTC 2023
Edited
by admin
on Sat Dec 16 04:19:05 UTC 2023
Record UNII
JTV5467968
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LICOCHALCONE A
MI   WHO-DD  
Common Name English
2-PROPEN-1-ONE, 3-(5-(1,1-DIMETHYL-2-PROPENYL)-4-HYDROXY-2-METHOXYPHENYL)-1-(4-HYDROXYPHENYL)-, (E)-
Systematic Name English
LICOCHALCONE A [MI]
Common Name English
(2E)-3-(5-(1,1-DIMETHYL-2-PROPENYL)-4-HYDROXY-2-METHOXYPHENYL)-1-(4-HYDROXYPHENYL)-2-PROPEN-1-ONE
Systematic Name English
Licochalcone A [WHO-DD]
Common Name English
2-PROPEN-1-ONE, 3-(5-(1,1-DIMETHYL-2-PROPENYL)-4-HYDROXY-2-METHOXYPHENYL)-1-(4-HYDROXYPHENYL)-, (2E)-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C2189
Created by admin on Sat Dec 16 04:19:05 UTC 2023 , Edited by admin on Sat Dec 16 04:19:05 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C148179
Created by admin on Sat Dec 16 04:19:05 UTC 2023 , Edited by admin on Sat Dec 16 04:19:05 UTC 2023
PRIMARY
MERCK INDEX
m6802
Created by admin on Sat Dec 16 04:19:05 UTC 2023 , Edited by admin on Sat Dec 16 04:19:05 UTC 2023
PRIMARY Merck Index
WIKIPEDIA
LICOCHALCONE A
Created by admin on Sat Dec 16 04:19:05 UTC 2023 , Edited by admin on Sat Dec 16 04:19:05 UTC 2023
PRIMARY
CAS
87080-27-1
Created by admin on Sat Dec 16 04:19:05 UTC 2023 , Edited by admin on Sat Dec 16 04:19:05 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
EVMPD
SUB184387
Created by admin on Sat Dec 16 04:19:05 UTC 2023 , Edited by admin on Sat Dec 16 04:19:05 UTC 2023
PRIMARY
PUBCHEM
5318998
Created by admin on Sat Dec 16 04:19:05 UTC 2023 , Edited by admin on Sat Dec 16 04:19:05 UTC 2023
PRIMARY
CAS
58749-22-7
Created by admin on Sat Dec 16 04:19:05 UTC 2023 , Edited by admin on Sat Dec 16 04:19:05 UTC 2023
PRIMARY
SMS_ID
100000170400
Created by admin on Sat Dec 16 04:19:05 UTC 2023 , Edited by admin on Sat Dec 16 04:19:05 UTC 2023
PRIMARY
EPA CompTox
DTXSID10904181
Created by admin on Sat Dec 16 04:19:05 UTC 2023 , Edited by admin on Sat Dec 16 04:19:05 UTC 2023
PRIMARY
FDA UNII
JTV5467968
Created by admin on Sat Dec 16 04:19:05 UTC 2023 , Edited by admin on Sat Dec 16 04:19:05 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> ACTIVE CONSTITUENT ALWAYS PRESENT
PARENT -> ACTIVE CONSTITUENT ALWAYS PRESENT
LICOCHALCONE A exhibited antimicrobial activity (MICs 3.13?12.5 ug/ml) against MSSAs (strains FDA 209P and Smith) and MRSAs(strains K3 and ST 28).
PARENT -> ACTIVE CONSTITUENT ALWAYS PRESENT
Anti-HCV activity IC50 was found to be be 2.5 ug/mL.
PARENT -> ACTIVE CONSTITUENT ALWAYS PRESENT
0.64% of dry weight of contents.
Related Record Type Details
ACTIVE MOIETY