Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C13H14O3 |
| Molecular Weight | 218.2485 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC1C2=C(CCC\C1=C/C(O)=O)C=CC=C2
InChI
InChIKey=UADPGHINQMWEAG-CSKARUKUSA-N
InChI=1S/C13H14O3/c14-12(15)8-10-6-3-5-9-4-1-2-7-11(9)13(10)16/h1-2,4,7-8,13,16H,3,5-6H2,(H,14,15)/b10-8+
| Molecular Formula | C13H14O3 |
| Molecular Weight | 218.2485 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Optical Activity | ( + / - ) |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL3558 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18945616 |
0.5 µM [IC50] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:39:11 GMT 2025
by
admin
on
Mon Mar 31 23:39:11 GMT 2025
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| Record UNII |
8WW2CD9KK4
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| Record Status |
Validated (UNII)
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| Record Version |
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520505-01-5
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NON-SPECIFIC STEREOCHEMISTRY | |||
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DTXSID501018138
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5875451
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8WW2CD9KK4
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326809-98-7
Created by
admin on Mon Mar 31 23:39:11 GMT 2025 , Edited by admin on Mon Mar 31 23:39:11 GMT 2025
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PRIMARY |
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SALT/SOLVATE -> PARENT |
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