01
使君子
Shi Jun Zi / Fructus Quisqualis; Quisqualis Fructus
Shi Jun ZiFructus Quisqualis; Quisqualis Fructus
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 8
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 3,3',4'-tri-o-methylellagic acid
- Molecular Formula
- C17H12O8
- Molecular Weight
- No data
- Canonical SMILES
- COC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4OC)OC)C(=O)O2)O
- Isomeric SMILES
- COC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4OC)OC)C(=O)O2)O
- InChI
- InChI=1S/C17H12O8/c1-21-8-4-6-10-11-7(16(19)24-14(10)12(8)18)5-9(22-2)13(23-3)15(11)25-17(6)20/h4-5,18H,1-3H3
- Oral Bioavailability
- No data
- Drug Likeness
- 0.445
- 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