01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 14-methyl-alpha-sitosterol
- Molecular Formula
- C31H52O
- Molecular Weight
- No data
- Canonical SMILES
- CC=C(CCC(C)C1CCC2(C1(CCC3C2=CCC4C3(CCC(C4C)O)C)C)C)C(C)C
- Isomeric SMILES
- C/C=C(/CC[C@@H](C)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H]([C@H]4C)O)C)C)C)\C(C)C
- InChI
- InChI=1S/C31H52O/c1-9-23(20(2)3)11-10-21(4)24-14-18-31(8)27-13-12-25-22(5)28(32)16-17-29(25,6)26(27)15-19-30(24,31)7/h9,13,20-22,24-26,28,32H,10-12,14-19H2,1-8H3/b23-9-/t21-,22+,24-,25+,26+,28+,29+,30-,31+/m1/s1
- Oral Bioavailability
- 43.485
- Drug Likeness
- 0.424
- 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.