01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 3
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Alpha-iron(cis)
- Molecular Formula
- C14H22O
- Molecular Weight
- No data
- Canonical SMILES
- CC1CC=C(C(C1(C)C)C=CC(=O)C)C
- Isomeric SMILES
- CC1CC=C(C(C1(C)C)/C=C/C(=O)C)C
- InChI
- InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+
- Oral Bioavailability
- No data
- Drug Likeness
- 0.496
- 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