01
八角茴香
Ba Jiao Hui Xiang / Anisi Stellati Fructus; Fructus Anisi Stellati
Ba Jiao Hui XiangAnisi Stellati Fructus; Fructus Anisi Stellati
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 12
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 3-o-feruloylquinic acid
- Molecular Formula
- C17H20O9
- Molecular Weight
- No data
- Canonical SMILES
- COC1=C(C=CC(=C1)C=CC(=O)OC2CC(CC(C2O)O)(C(=O)O)O)O
- Isomeric SMILES
- COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H]2C[C@@](C[C@@H]([C@@H]2O)O)(C(=O)O)O)O
- InChI
- InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17-/m0/s1
- Oral Bioavailability
- 25.506
- Drug Likeness
- 0.347
- 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 ingredient4 Herbs