01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 13
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 3beta-hydroxy-atractylon
- Molecular Formula
- C15H20O2
- Molecular Weight
- No data
- Canonical SMILES
- CC1=COC2=C1CC3C(=C)C(CCC3(C2)C)O
- Isomeric SMILES
- CC1=COC2=C1C[C@H]3C(=C)[C@H](CC[C@@]3(C2)C)O
- InChI
- InChI=1S/C15H20O2/c1-9-8-17-14-7-15(3)5-4-13(16)10(2)12(15)6-11(9)14/h8,12-13,16H,2,4-7H2,1,3H3/t12-,13-,15+/m0/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.697
- 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.