01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 24-ethylcholest-22-enol
- Molecular Formula
- C29H50O
- Molecular Weight
- No data
- Canonical SMILES
- CCC(C=CC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C)C(C)CO
- Isomeric SMILES
- CCC(C=C[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCCC4)C)C)C(C)CO
- InChI
- InChI=1S/C29H50O/c1-6-22(21(3)19-30)11-10-20(2)25-14-15-26-24-13-12-23-9-7-8-17-28(23,4)27(24)16-18-29(25,26)5/h10-11,20-27,30H,6-9,12-19H2,1-5H3/t20-,21?,22?,23?,24+,25-,26+,27+,28+,29-/m1/s1
- Oral Bioavailability
- 37.095
- Drug Likeness
- 0.438
- 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