01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- N-methylphoebine
- Molecular Formula
- C22H26NO5+
- Molecular Weight
- No data
- Canonical SMILES
- C[N+]1(CCC2=C3C1CC4=CC5=C(C=C4C3=C(C(=C2OC)OC)OC)OCO5)C
- Isomeric SMILES
- C[N+]1(CCC2=C3[C@@H]1CC4=CC5=C(C=C4C3=C(C(=C2OC)OC)OC)OCO5)C
- InChI
- InChI=1S/C22H26NO5/c1-23(2)7-6-13-18-15(23)8-12-9-16-17(28-11-27-16)10-14(12)19(18)21(25-4)22(26-5)20(13)24-3/h9-10,15H,6-8,11H2,1-5H3/q+1/t15-/m0/s1
- Oral Bioavailability
- 7.465
- Drug Likeness
- 0.760
- 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.
Active Targets
ingredient target7 Targets
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