01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 28-acetoxy-15alpha-hydroxymansumbinone
- Molecular Formula
- C24H36O4
- Molecular Weight
- No data
- Canonical SMILES
- CC(=O)OCC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(C(C=C4)O)C)C)C
- Isomeric SMILES
- CC(=O)OC[C@]1([C@@H]2CC[C@@]3([C@@H]([C@]2(CCC1=O)C)CC[C@H]4[C@]3([C@H](C=C4)O)C)C)C
- InChI
- InChI=1S/C24H36O4/c1-15(25)28-14-22(3)17-10-13-23(4)18(21(17,2)12-11-19(22)26)8-6-16-7-9-20(27)24(16,23)5/h7,9,16-18,20,27H,6,8,10-14H2,1-5H3/t16-,17-,18-,20+,21+,22+,23-,24+/m1/s1
- Oral Bioavailability
- 41.854
- Drug Likeness
- 0.566
- 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