all-trans-4-oxo-retinoic acid [723]
all-trans-4-oxo-retinoic acid
| SMILES |
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1=O |
| InChIKey |
GGCUJPCCTQNTJF-FRCNGJHJSA-N |
Chemical Properties
| Hydrogen bond acceptors |
2 |
| Hydrogen bond donors |
1 |
| Rotatable bonds |
5 |
| Log P |
4.782 |
| Molecular weight (Da) |
314.2 |
| Stereochemistry info |
unspecified |
Bioactivities
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| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
Family |
Class |
Type |
Min |
Avg |
Max |
Database |
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| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
Family |
Class |
Type |
Min |
Avg |
Max |
Database |
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all-trans-4-oxo-retinoic acid
Drug properties
| Molecular type |
Small molecule |
| Physiological/Surrogate |
Surrogate |
| Approved drug |
No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0
Compound is not listed as a drug.