01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (-)-butin
- Molecular Formula
- C15H12O5
- Molecular Weight
- No data
- Canonical SMILES
- C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O
- Isomeric SMILES
- C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O
- InChI
- InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2/t14-/m0/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.694
- 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