01
荆芥
Jing Jie / Herba Schizonepetae; Schizonepetae Herba
Jing JieHerba Schizonepetae; Schizonepetae Herba
- Entity Type
- Ingredients
- Relation Groups
- 4
- Relation Preview
- 24
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (2s,5r)-2-isopropenyl-5-methyl-1-cyclohexanone
- Molecular Formula
- C10H16O
- Molecular Weight
- No data
- Canonical SMILES
- CC1CCC(C(=O)C1)C(=C)C
- Isomeric SMILES
- C[C@@H]1CC[C@H](C(=O)C1)C(=C)C
- InChI
- InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1
- Oral Bioavailability
- 66.908
- Drug Likeness
- 0.528
- 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.