01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 15
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Irigenin
- Molecular Formula
- C18H16O8
- Molecular Weight
- No data
- Canonical SMILES
- COC1=CC(=CC(=C1OC)O)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O
- Isomeric SMILES
- COC1=CC(=CC(=C1OC)O)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O
- InChI
- InChI=1S/C18H16O8/c1-23-13-5-8(4-10(19)17(13)24-2)9-7-26-12-6-11(20)18(25-3)16(22)14(12)15(9)21/h4-7,19-20,22H,1-3H3
- Oral Bioavailability
- 1.955
- Drug Likeness
- 0.650
- 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