01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Trans-sobrerol
- Molecular Formula
- C10H18O2
- Molecular Weight
- No data
- Canonical SMILES
- CC1=CCC(CC1O)C(C)(C)O
- Isomeric SMILES
- CC1=CC[C@H](C[C@@H]1O)C(C)(C)O
- InChI
- InChI=1S/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3/t8-,9+/m1/s1
- Oral Bioavailability
- 47.312
- Drug Likeness
- 0.585
- 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