01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 3
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (22e,24r)-ergosta-6-en-3beta,5alpha,6beta-triol
- Molecular Formula
- C28H48O3
- Molecular Weight
- No data
- Canonical SMILES
- CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2=CC(C4(C3(CCC(C4)O)C)O)O)C
- Isomeric SMILES
- C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C
- InChI
- InChI=1S/C28H48O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h15,17-20,22-25,29-31H,7-14,16H2,1-6H3/t18-,19+,20-,22+,23-,24-,25+,26+,27+,28-/m0/s1
- Oral Bioavailability
- 30.196
- Drug Likeness
- 0.487
- 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