01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Stigmastan-3,5,22-triene
- Molecular Formula
- C29H46
- Molecular Weight
- No data
- Canonical SMILES
- CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC=C4)C)C)C(C)C
- Isomeric SMILES
- CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC=C4)C)C)C(C)C
- InChI
- InChI=1S/C29H46/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h8,10-13,20-22,24-27H,7,9,14-19H2,1-6H3/b12-11+/t21-,22-,24+,25-,26+,27+,28+,29-/m1/s1
- Oral Bioavailability
- 45.027
- Drug Likeness
- 0.409
- 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.