01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 3-methoxytyramine-betaxanthin
- Molecular Formula
- C18H20N2O6
- Molecular Weight
- No data
- Canonical SMILES
- COC1=C(C=CC(=C1)CCN=CC=C2CC(NC(=C2)C(=O)O)C(=O)O)O
- Isomeric SMILES
- COC1=C(C=CC(=C1)CCN=C/C=C/2\C[C@H](NC(=C2)C(=O)O)C(=O)O)O
- InChI
- InChI=1S/C18H20N2O6/c1-26-16-10-11(2-3-15(16)21)4-6-19-7-5-12-8-13(17(22)23)20-14(9-12)18(24)25/h2-3,5,7-8,10,14,20-21H,4,6,9H2,1H3,(H,22,23)(H,24,25)/b12-5-,19-7?/t14-/m0/s1
- Oral Bioavailability
- 12.356
- Drug Likeness
- 0.540
- 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