01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 16
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Aucubigenin
- Molecular Formula
- C9H12O4
- Molecular Weight
- No data
- Canonical SMILES
- C1=COC(C2C1C(C=C2CO)O)O
- Isomeric SMILES
- C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2CO)O)O
- InChI
- InChI=1S/C9H12O4/c10-4-5-3-7(11)6-1-2-13-9(12)8(5)6/h1-3,6-12H,4H2/t6-,7+,8+,9+/m0/s1
- Oral Bioavailability
- 101.770
- Drug Likeness
- 0.475
- 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.