01
荆芥
Jing Jie / Herba Schizonepetae; Schizonepetae Herba
Jing JieHerba Schizonepetae; Schizonepetae Herba
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 7
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (5s)-3,5-dimethylcyclohex-2-en-1-one
- Molecular Formula
- C8H12O
- Molecular Weight
- No data
- Canonical SMILES
- CC1CC(=CC(=O)C1)C
- Isomeric SMILES
- C[C@H]1CC(=CC(=O)C1)C
- InChI
- InChI=1S/C8H12O/c1-6-3-7(2)5-8(9)4-6/h4,7H,3,5H2,1-2H3/t7-/m0/s1
- Oral Bioavailability
- 50.780
- Drug Likeness
- 0.482
- 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.