01
王不留行
Wang Bu Liu Xing / Semen Vaccariae; Vaccariae Semen
Wang Bu Liu XingSemen Vaccariae; Vaccariae Semen
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Vaccarin_qt
- Molecular Formula
- C21H20O10
- Molecular Weight
- No data
- Canonical SMILES
- C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O
- Isomeric SMILES
- C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O)O
- InChI
- InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m0/s1
- Oral Bioavailability
- 7.326
- Drug Likeness
- 0.300
- 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