01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 6
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Shinjudilactone
- Molecular Formula
- C20H24O7
- Molecular Weight
- No data
- Canonical SMILES
- CC1C2CC(=O)OC3C24COC(=O)C1(C4C5(C(C3)C(=CC(=O)C5O)C)C)O
- Isomeric SMILES
- CC1[C@@H]2CC(=O)O[C@H]3[C@@]24COC(=O)[C@@]1([C@@H]4[C@@]5([C@@H](C3)C(=CC(=O)[C@H]5O)C)C)O
- InChI
- InChI=1S/C20H24O7/c1-8-4-12(21)15(23)18(3)10(8)5-13-19-7-26-17(24)20(25,16(18)19)9(2)11(19)6-14(22)27-13/h4,9-11,13,15-16,23,25H,5-7H2,1-3H3/t9?,10-,11-,13+,15+,16+,18+,19+,20+/m0/s1
- Oral Bioavailability
- 43.564
- Drug Likeness
- 0.588
- 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.
Active Targets
ingredient target4 Targets