01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Neobavachalcone
- Molecular Formula
- C17H14O5
- Molecular Weight
- No data
- Canonical SMILES
- COC1=CC(=C(C=C1C=O)C(=O)C=CC2=CC=C(C=C2)O)O
- Isomeric SMILES
- COC1=CC(=C(C=C1C=O)C(=O)/C=C/C2=CC=C(C=C2)O)O
- InChI
- InChI=1S/C17H14O5/c1-22-17-9-16(21)14(8-12(17)10-18)15(20)7-4-11-2-5-13(19)6-3-11/h2-10,19,21H,1H3/b7-4+
- Oral Bioavailability
- 4.813
- Drug Likeness
- 0.504
- 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