01
Ingredients
(4ar,7r,8r)-7,8-dihydroxy-4a,8-dimethyl-4,5,6,7-tetrahydro-3h-naphthalen-2-one
C12H18O3
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 5
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (4ar,7r,8r)-7,8-dihydroxy-4a,8-dimethyl-4,5,6,7-tetrahydro-3h-naphthalen-2-one
- Molecular Formula
- C12H18O3
- Molecular Weight
- No data
- Canonical SMILES
- CC12CCC(C(C1=CC(=O)CC2)(C)O)O
- Isomeric SMILES
- C[C@]12CC[C@H]([C@](C1=CC(=O)CC2)(C)O)O
- InChI
- InChI=1S/C12H18O3/c1-11-5-3-8(13)7-9(11)12(2,15)10(14)4-6-11/h7,10,14-15H,3-6H2,1-2H3/t10-,11+,12-/m1/s1
- Oral Bioavailability
- 45.172
- Drug Likeness
- 0.631
- 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.