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Ingredients

3-methoxytyramine-betaxanthin

C18H20N2O6

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

Direct relations and traceable candidates grouped by relation type.

Source Herbs

herb ingredient2 Herbs
01
密蒙花
Mi Meng Hua / Flos Buddlejae; Buddlejae Flos
Mi Meng HuaFlos Buddlejae; Buddlejae Flos
02
青葙子
Qing Xiang Zi / Semen Celosiae; Celosiae Semen
Qing Xiang ZiSemen Celosiae; Celosiae Semen