01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 15alpha-hydroxymansumbinone
- Molecular Formula
- C22H34O2
- Molecular Weight
- No data
- Canonical SMILES
- CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(C(C=C4)O)C)C)C
- Isomeric SMILES
- C[C@]12CCC(=O)C([C@@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3([C@H](C=C4)O)C)C)(C)C
- InChI
- InChI=1S/C22H34O2/c1-19(2)15-10-13-21(4)16(20(15,3)12-11-17(19)23)8-6-14-7-9-18(24)22(14,21)5/h7,9,14-16,18,24H,6,8,10-13H2,1-5H3/t14-,15+,16-,18+,20+,21-,22+/m1/s1
- Oral Bioavailability
- 37.507
- Drug Likeness
- 0.650
- 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 ingredient2 Herbs