01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Toddaculin
- Molecular Formula
- C16H18O4
- Molecular Weight
- No data
- Canonical SMILES
- CC(=CCC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)C
- Isomeric SMILES
- CC(=CCC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)C
- InChI
- InChI=1S/C16H18O4/c1-10(2)5-6-11-13(18-3)9-14-12(16(11)19-4)7-8-15(17)20-14/h5,7-9H,6H2,1-4H3
- Oral Bioavailability
- 47.848
- Drug Likeness
- 0.634
- 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