01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 12
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Anisodamine
- Molecular Formula
- C17H23NO4
- Molecular Weight
- No data
- Canonical SMILES
- CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3
- Isomeric SMILES
- CN1[C@H]2C[C@@H](C[C@@H]1[C@H](C2)O)OC(=O)[C@H](CO)C3=CC=CC=C3
- InChI
- InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13-,14+,15+,16-/m0/s1
- Oral Bioavailability
- 34.872
- Drug Likeness
- 0.809
- 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 ingredient4 Herbs