01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 3,4-dihydroverbenalin
- Molecular Formula
- C17H26O10
- Molecular Weight
- No data
- Canonical SMILES
- CC1CC(=O)C2C1C(OCC2CC(=O)O)OC3C(C(C(C(O3)CO)O)O)O
- Isomeric SMILES
- CC1CC(=O)C2C1C(OCC2CC(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O
- InChI
- InChI=1S/C17H26O10/c1-6-2-8(19)12-7(3-10(20)21)5-25-16(11(6)12)27-17-15(24)14(23)13(22)9(4-18)26-17/h6-7,9,11-18,22-24H,2-5H2,1H3,(H,20,21)/t6?,7?,9-,11?,12?,13+,14-,15+,16?,17-/m0/s1
- Oral Bioavailability
- 10.817
- Drug Likeness
- 0.358
- 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.