01
橘红
Ju Hong / Exocarpium Citri Rubrum; Citri Exocarpium Rubrum
Ju HongExocarpium Citri Rubrum; Citri Exocarpium Rubrum
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 16-hydroxy-alpha-colubrine
- Molecular Formula
- C22H24N2O4
- Molecular Weight
- No data
- Canonical SMILES
- COC1=CC2=C(C=C1)C34CCN5C3(CC6C7C4N2C(=O)CC7OCC=C6C5)O
- Isomeric SMILES
- COC1=CC2=C(C=C1)[C@]34CCN5[C@]3(C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)O
- InChI
- InChI=1S/C22H24N2O4/c1-27-13-2-3-15-16(8-13)24-18(25)9-17-19-14-10-22(26)21(15,20(19)24)5-6-23(22)11-12(14)4-7-28-17/h2-4,8,14,17,19-20,26H,5-7,9-11H2,1H3/t14-,17-,19-,20-,21-,22+/m0/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.747
- 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