01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Angelicone
- Molecular Formula
- C16H16O5
- Molecular Weight
- No data
- Canonical SMILES
- CC(=CC(=O)C1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)C
- Isomeric SMILES
- CC(=CC(=O)C1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)C
- InChI
- InChI=1S/C16H16O5/c1-9(2)7-11(17)15-13(20-4)8-12(19-3)10-5-6-14(18)21-16(10)15/h5-8H,1-4H3
- Oral Bioavailability
- 30.989
- Drug Likeness
- 0.491
- 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 ingredient2 Herbs