01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 13
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Negletein
- Molecular Formula
- C16H12O5
- Molecular Weight
- No data
- Canonical SMILES
- COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O)O
- Isomeric SMILES
- COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O)O
- InChI
- InChI=1S/C16H12O5/c1-20-13-8-12-14(16(19)15(13)18)10(17)7-11(21-12)9-5-3-2-4-6-9/h2-8,18-19H,1H3
- Oral Bioavailability
- 41.163
- Drug Likeness
- 0.707
- 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 ingredient5 Herbs
02
03
04
05