01
Ingredients
(9as,9br)-3,6,9-trimethyl-5,7,9a,9b-tetrahydro-4h-azuleno[5,4-d]furan-2-one
C15H18O2
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 8
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (9as,9br)-3,6,9-trimethyl-5,7,9a,9b-tetrahydro-4h-azuleno[5,4-d]furan-2-one
- Molecular Formula
- C15H18O2
- Molecular Weight
- No data
- Canonical SMILES
- CC1=C2CC=C(C2C3C(=C(C(=O)O3)C)CC1)C
- Isomeric SMILES
- CC1=C2CC=C([C@@H]2[C@@H]3C(=C(C(=O)O3)C)CC1)C
- InChI
- InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h5,13-14H,4,6-7H2,1-3H3/t13-,14-/m0/s1
- Oral Bioavailability
- 60.420
- Drug Likeness
- 0.471
- 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.