01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (-)-roemerine
- Molecular Formula
- C18H17NO2
- Molecular Weight
- No data
- Canonical SMILES
- CN1CCC2=CC3=C(C4=C2C1CC5=CC=CC=C54)OCO3
- Isomeric SMILES
- CN1CCC2=CC3=C(C4=C2[C@H]1CC5=CC=CC=C54)OCO3
- InChI
- InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3/t14-/m1/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.739
- 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