01
Ingredients
2-o-beta-d-glucopyranosyl-2h-1,4-benzoxazin-3(4h)-one
C14H17NO8
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 2-o-beta-d-glucopyranosyl-2h-1,4-benzoxazin-3(4h)-one
- Molecular Formula
- C14H17NO8
- Molecular Weight
- No data
- Canonical SMILES
- C1=CC=C2C(=C1)NC(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O
- Isomeric SMILES
- C1=CC=C2C(=C1)NC(=O)[C@H](O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
- InChI
- InChI=1S/C14H17NO8/c16-5-8-9(17)10(18)11(19)13(22-8)23-14-12(20)15-6-3-1-2-4-7(6)21-14/h1-4,8-11,13-14,16-19H,5H2,(H,15,20)/t8-,9-,10+,11-,13+,14-/m1/s1
- Oral Bioavailability
- 43.618
- Drug Likeness
- 0.437
- 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
