01
川芎
Chuan Xiong / Rhizoma Chuanxiong; Chuanxiong Rhizoma
Chuan XiongRhizoma Chuanxiong; Chuanxiong Rhizoma
Ingredients
1(3h)-isobenzofuranone,3-butyl-3a,4,5,6-tetrahydro-,cis-(-)-
C12H18O2
- Entity Type
- Ingredients
- Relation Groups
- 4
- Relation Preview
- 29
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 1(3h)-isobenzofuranone,3-butyl-3a,4,5,6-tetrahydro-,cis-(-)-
- Molecular Formula
- C12H18O2
- Molecular Weight
- No data
- Canonical SMILES
- CCCCC1C2CCCC=C2C(=O)O1
- Isomeric SMILES
- CCCC[C@H]1[C@@H]2CCCC=C2C(=O)O1
- InChI
- InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3/t9-,11+/m1/s1
- Oral Bioavailability
- 65.032
- Drug Likeness
- 0.646
- 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.