01
Ingredients
(20s,22r,24r)-16,22-epoxy-3beta,14alpha,23beta,25-tetrahydroxyergost-7-en-6-one
C28H44O6
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (20s,22r,24r)-16,22-epoxy-3beta,14alpha,23beta,25-tetrahydroxyergost-7-en-6-one
- Molecular Formula
- C28H44O6
- Molecular Weight
- No data
- Canonical SMILES
- CC1C2C(CC3(C2(CCC4C3=CC(=O)C5C4(CCC(C5)O)C)C)O)OC1C(C(C)C(C)(C)O)O
- Isomeric SMILES
- C[C@H]1[C@H]2[C@H](C[C@@]3([C@@]2(CC[C@H]4C3=CC(=O)[C@H]5[C@@]4(CC[C@@H](C5)O)C)C)O)O[C@H]1[C@H]([C@@H](C)C(C)(C)O)O
- InChI
- InChI=1S/C28H44O6/c1-14-22-21(34-24(14)23(31)15(2)25(3,4)32)13-28(33)18-12-20(30)19-11-16(29)7-9-26(19,5)17(18)8-10-27(22,28)6/h12,14-17,19,21-24,29,31-33H,7-11,13H2,1-6H3/t14-,15+,16-,17-,19-,21-,22-,23-,24+,26+,27+,28+/m0/s1
- Oral Bioavailability
- 15.604
- Drug Likeness
- 0.499
- 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