01
金鸡纳
Jin Ji Na / Cortex Cinchonae Ledgerianae; Cortex Cinchonae Succirubrae; Cortex Cinchonae Offcinalis
Jin Ji NaCortex Cinchonae Ledgerianae; Cortex Cinchonae Succirubrae; Cortex Cinchonae Offcinalis
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Quinine
- Molecular Formula
- C20H24N2O2
- Molecular Weight
- No data
- Canonical SMILES
- COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O
- Isomeric SMILES
- COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O
- InChI
- InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.878
- 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