01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 12
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Zerumbone
- Molecular Formula
- C15H22O
- Molecular Weight
- No data
- Canonical SMILES
- CC1=CCC(C=CC(=O)C(=CCC1)C)(C)C
- Isomeric SMILES
- C/C/1=C\CC(/C=C/C(=O)/C(=C/CC1)/C)(C)C
- InChI
- InChI=1S/C15H22O/c1-12-6-5-7-13(2)14(16)9-11-15(3,4)10-8-12/h7-9,11H,5-6,10H2,1-4H3/b11-9+,12-8+,13-7+
- Oral Bioavailability
- 49.759
- Drug Likeness
- 0.556
- 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 ingredient4 Herbs