01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 3
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Hispanone
- Molecular Formula
- C20H28O2
- Molecular Weight
- No data
- Canonical SMILES
- CC1=C(C2(CCCC(C2CC1=O)(C)C)C)CCC3=COC=C3
- Isomeric SMILES
- CC1=C([C@]2(CCCC([C@@H]2CC1=O)(C)C)C)CCC3=COC=C3
- InChI
- InChI=1S/C20H28O2/c1-14-16(7-6-15-8-11-22-13-15)20(4)10-5-9-19(2,3)18(20)12-17(14)21/h8,11,13,18H,5-7,9-10,12H2,1-4H3/t18-,20+/m0/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.754
- 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