01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Canthin-6-one 9-o-beta-glucopyranoside
- Molecular Formula
- C20H18N2O7
- Molecular Weight
- No data
- Canonical SMILES
- C1=CC2=C(C=C1OC3C(C(C(C(O3)CO)O)O)O)N4C(=O)C=CC5=NC=CC2=C54
- Isomeric SMILES
- C1=CC2=C(C=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)N4C(=O)C=CC5=NC=CC2=C54
- InChI
- InChI=1S/C20H18N2O7/c23-8-14-17(25)18(26)19(27)20(29-14)28-9-1-2-10-11-5-6-21-12-3-4-15(24)22(16(11)12)13(10)7-9/h1-7,14,17-20,23,25-27H,8H2/t14-,17-,18+,19-,20-/m1/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.367
- 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