01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 7
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 9(s)-hotre
- Molecular Formula
- C18H30O3
- Molecular Weight
- No data
- Canonical SMILES
- CCC=CCC=CC=CC(CCCCCCCC(=O)O)O
- Isomeric SMILES
- CC/C=C\C/C=C\C=C\[C@H](CCCCCCCC(=O)O)O
- InChI
- InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+/t17-/m1/s1
- Oral Bioavailability
- 37.916
- Drug Likeness
- 0.296
- DL Score
- No data
- Caco-2 Permeability
- No data
- ALogP
- No data
- Bioavailability Score
- No data
Identifiers
- InChI Key
- No data
- PubChem CID
- No data
Description and Extensions
- Toxicity Information
- No data
Related
Related Entities
Direct relations and traceable candidates grouped by relation type.
Active Targets
ingredient target6 Targets
02
03
04
PPARG
peroxisome proliferator activated receptor gamma
peroxisome proliferator activated receptor gamma
05
06