01
Ingredients
(1r,5s)-4,7,7-trimethylbicyclo[3.1.1]hept-3-en-6-one
C10H14O
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 6
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (1r,5s)-4,7,7-trimethylbicyclo[3.1.1]hept-3-en-6-one
- Molecular Formula
- C10H14O
- Molecular Weight
- No data
- Canonical SMILES
- CC1=CCC2C(=O)C1C2(C)C
- Isomeric SMILES
- CC1=CC[C@H]2C(=O)[C@@H]1C2(C)C
- InChI
- InChI=1S/C10H14O/c1-6-4-5-7-9(11)8(6)10(7,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m0/s1
- Oral Bioavailability
- 51.488
- Drug Likeness
- 0.484
- 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