01
川芎
Chuan Xiong / Rhizoma Chuanxiong; Chuanxiong Rhizoma
Chuan XiongRhizoma Chuanxiong; Chuanxiong Rhizoma
Ingredients
(z)-4,5-dihydro-6,7-trans-dihydroxy-3-butylidene phthalide
C12H16O4
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 7
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (z)-4,5-dihydro-6,7-trans-dihydroxy-3-butylidene phthalide
- Molecular Formula
- C12H16O4
- Molecular Weight
- No data
- Canonical SMILES
- CCCC=C1C2=C(C(C(CC2)O)O)C(=O)O1
- Isomeric SMILES
- CCC/C=C\1/C2=C([C@H]([C@@H](CC2)O)O)C(=O)O1
- InChI
- InChI=1S/C12H16O4/c1-2-3-4-9-7-5-6-8(13)11(14)10(7)12(15)16-9/h4,8,11,13-14H,2-3,5-6H2,1H3/b9-4-/t8-,11+/m1/s1
- Oral Bioavailability
- 19.665
- Drug Likeness
- 0.688
- 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.