01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 3
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Spbio_000310
- Molecular Formula
- C14H22O2
- Molecular Weight
- No data
- Canonical SMILES
- CC1(CC2C1CCC3(C(O3)CCC2=O)C)C
- Isomeric SMILES
- C[C@@]12CC[C@@H]3[C@H](CC3(C)C)C(=O)CC[C@H]1O2
- InChI
- InChI=1S/C14H22O2/c1-13(2)8-9-10(13)6-7-14(3)12(16-14)5-4-11(9)15/h9-10,12H,4-8H2,1-3H3/t9-,10+,12+,14+/m0/s1
- Oral Bioavailability
- 18.432
- Drug Likeness
- 0.590
- 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 ingredient1 Herbs