01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Arnebinone
- Molecular Formula
- C18H22O4
- Molecular Weight
- No data
- Canonical SMILES
- CC(=C)C1CCC(C2=C1C(=O)C(=C(C2=O)OC)OC)(C)C=C
- Isomeric SMILES
- CC(=C)C1CCC(C2=C1C(=O)C(=C(C2=O)OC)OC)(C)C=C
- InChI
- InChI=1S/C18H22O4/c1-7-18(4)9-8-11(10(2)3)12-13(18)15(20)17(22-6)16(21-5)14(12)19/h7,11H,1-2,8-9H2,3-6H3
- Oral Bioavailability
- 20.809
- Drug Likeness
- 0.591
- 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