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.
Source Herbs
herb ingredient1 Herbs