01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 13
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Atractylenolide i
- Molecular Formula
- C15H18O2
- Molecular Weight
- No data
- Canonical SMILES
- CC1=C2CC3C(=C)CCCC3(C=C2OC1=O)C
- Isomeric SMILES
- CC1=C2C[C@H]3C(=C)CCC[C@@]3(C=C2OC1=O)C
- InChI
- InChI=1S/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h8,12H,1,4-7H2,2-3H3/t12-,15+/m0/s1
- Oral Bioavailability
- 37.365
- Drug Likeness
- 0.470
- 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 ingredient5 Herbs