01
川芎
Chuan Xiong / Rhizoma Chuanxiong; Chuanxiong Rhizoma
Chuan XiongRhizoma Chuanxiong; Chuanxiong Rhizoma
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Wallichilide
- Molecular Formula
- C25H32O5
- Molecular Weight
- No data
- Canonical SMILES
- CCCCC(=O)C12CCC(C=C1C(=O)OC)C3C2C4=C(CC3)C(=CCCC)OC4=O
- Isomeric SMILES
- CCCCC(=O)[C@]12CC[C@H](C=C1C(=O)OC)[C@H]3[C@@H]2C4=C(CC3)/C(=C/CCC)/OC4=O
- InChI
- InChI=1S/C25H32O5/c1-4-6-8-19-17-11-10-16-15-12-13-25(20(26)9-7-5-2,18(14-15)23(27)29-3)22(16)21(17)24(28)30-19/h8,14-16,22H,4-7,9-13H2,1-3H3/b19-8-/t15-,16+,22-,25+/m1/s1
- Oral Bioavailability
- 42.311
- Drug Likeness
- 0.561
- 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 ingredient2 Herbs