U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C15H14O4
Molecular Weight 258.2693
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ONONETIN

SMILES

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

InChI

InChIKey=XHBZOAYMBBUURD-UHFFFAOYSA-N
InChI=1S/C15H14O4/c1-19-12-5-2-10(3-6-12)8-14(17)13-7-4-11(16)9-15(13)18/h2-7,9,16,18H,8H2,1H3

HIDE SMILES / InChI

Molecular Formula C15H14O4
Molecular Weight 258.2693
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: Q9HCF6|||Q86SH6|||Q86Z01
Gene ID: 80036.0
Gene Symbol: TRPM3
Target Organism: Homo sapiens (Human)
0.3 µM [IC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 13:06:34 GMT 2023
Edited
by admin
on Sat Dec 16 13:06:34 GMT 2023
Record UNII
4S084Z7YS4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ONONETIN
Common Name English
ETHANONE, 1-(2,4-DIHYDROXYPHENYL)-2-(4-METHOXYPHENYL)-
Systematic Name English
NSC-89759
Code English
1-(2,4-DIHYDROXYPHENYL)-2-(4-METHOXYPHENYL)ETHANONE
Systematic Name English
ACETOPHENONE, 2',4'-DIHYDROXY-2-(P-METHOXYPHENYL)-
Systematic Name English
.ALPHA.-(4-METHOXYPHENYL)-2,4-DIHYDROXYACETOPHENONE
Systematic Name English
2,4-DIHYDROXYPHENYL 4'-METHOXYBENZYL KETONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50197590
Created by admin on Sat Dec 16 13:06:34 GMT 2023 , Edited by admin on Sat Dec 16 13:06:34 GMT 2023
PRIMARY
PUBCHEM
259632
Created by admin on Sat Dec 16 13:06:34 GMT 2023 , Edited by admin on Sat Dec 16 13:06:34 GMT 2023
PRIMARY
NSC
89759
Created by admin on Sat Dec 16 13:06:34 GMT 2023 , Edited by admin on Sat Dec 16 13:06:34 GMT 2023
PRIMARY
CAS
487-49-0
Created by admin on Sat Dec 16 13:06:34 GMT 2023 , Edited by admin on Sat Dec 16 13:06:34 GMT 2023
PRIMARY
FDA UNII
4S084Z7YS4
Created by admin on Sat Dec 16 13:06:34 GMT 2023 , Edited by admin on Sat Dec 16 13:06:34 GMT 2023
PRIMARY
WIKIPEDIA
Ononetin
Created by admin on Sat Dec 16 13:06:34 GMT 2023 , Edited by admin on Sat Dec 16 13:06:34 GMT 2023
PRIMARY