01
Ingredients
(3s,3as,8ar)-3-hydroxy-5-isopropylidene-3,8-dimethyl-2,3a,4,8a-tetrahydro-1h-azulen-6-one
C15H22O2
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (3s,3as,8ar)-3-hydroxy-5-isopropylidene-3,8-dimethyl-2,3a,4,8a-tetrahydro-1h-azulen-6-one
- Molecular Formula
- C15H22O2
- Molecular Weight
- No data
- Canonical SMILES
- CC1=CC(=O)C(=C(C)C)CC2C1CCC2(C)O
- Isomeric SMILES
- CC1=CC(=O)C(=C(C)C)C[C@H]2[C@H]1CC[C@]2(C)O
- InChI
- InChI=1S/C15H22O2/c1-9(2)12-8-13-11(5-6-15(13,4)17)10(3)7-14(12)16/h7,11,13,17H,5-6,8H2,1-4H3/t11-,13-,15-/m0/s1
- Oral Bioavailability
- 34.404
- Drug Likeness
- 0.654
- 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