01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 16
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Magnograndiolide
- Molecular Formula
- C15H22O4
- Molecular Weight
- No data
- Canonical SMILES
- CC1(CCC2C(C3C1CCC3(C)O)OC(=O)C2=C)O
- Isomeric SMILES
- C[C@]1(CC[C@@H]2[C@@H]([C@@H]3[C@H]1CC[C@@]3(C)O)OC(=O)C2=C)O
- InChI
- InChI=1S/C15H22O4/c1-8-9-4-6-14(2,17)10-5-7-15(3,18)11(10)12(9)19-13(8)16/h9-12,17-18H,1,4-7H2,2-3H3/t9-,10+,11-,12-,14+,15+/m0/s1
- Oral Bioavailability
- 63.709
- Drug Likeness
- 0.514
- 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 ingredient8 Herbs