01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 15
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Atractylenolideii
- Molecular Formula
- C15H20O2
- Molecular Weight
- No data
- Canonical SMILES
- CC1=C2CC3C(=C)CCCC3(CC2OC1=O)C
- Isomeric SMILES
- CC1=C2C[C@@H]3C(=C)CCC[C@]3(C[C@H]2OC1=O)C
- InChI
- InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h12-13H,1,4-8H2,2-3H3/t12-,13-,15+/m1/s1
- Oral Bioavailability
- 47.504
- Drug Likeness
- 0.472
- 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 ingredient8 Herbs