01
Ingredients
(2s,3r,4s,5s,6r)-2-(4-hydroxy-3-methyl-phenoxy)-6-methylol-tetrahydropyran-3,4,5-triol
C13H18O7
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (2s,3r,4s,5s,6r)-2-(4-hydroxy-3-methyl-phenoxy)-6-methylol-tetrahydropyran-3,4,5-triol
- Molecular Formula
- C13H18O7
- Molecular Weight
- No data
- Canonical SMILES
- CC1=C(C=CC(=C1)OC2C(C(C(C(O2)CO)O)O)O)O
- Isomeric SMILES
- CC1=C(C=CC(=C1)OC2C(C(C(C(O2)CO)O)O)O)O
- InChI
- InChI=1S/C13H18O7/c1-6-4-7(2-3-8(6)15)19-13-12(18)11(17)10(16)9(5-14)20-13/h2-4,9-18H,5H2,1H3
- Oral Bioavailability
- 8.357
- Drug Likeness
- 0.477
- 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