01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 16
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 104086-74-0
- Molecular Formula
- C20H30O3
- Molecular Weight
- No data
- Canonical SMILES
- CC1(CCCC2(C1CCC3(C2CC=C(CC3O)C=O)C=O)C)C
- Isomeric SMILES
- C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC=C(C[C@@H]3O)C=O)C=O)(C)C
- InChI
- InChI=1S/C20H30O3/c1-18(2)8-4-9-19(3)15(18)7-10-20(13-22)16(19)6-5-14(12-21)11-17(20)23/h5,12-13,15-17,23H,4,6-11H2,1-3H3/t15-,16+,17-,19-,20-/m0/s1
- Oral Bioavailability
- 21.852
- Drug Likeness
- 0.790
- 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.