01
牵牛子
Qian Niu Zi / Pharbitidis Semen; Semen Pharbitidis
Qian Niu ZiPharbitidis Semen; Semen Pharbitidis
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (2r,3s)-3-hydroxy-2-methylbutanoic acid
- Molecular Formula
- C5H10O3
- Molecular Weight
- No data
- Canonical SMILES
- CC(C(C)O)C(=O)O
- Isomeric SMILES
- C[C@H]([C@H](C)O)C(=O)O
- InChI
- InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t3-,4+/m1/s1
- Oral Bioavailability
- 50.980
- Drug Likeness
- 0.540
- 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 ingredient1 Herbs