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Ingredients

Vulgaxanthin-i

C14H17N3O7

Entity Type
Ingredients
Relation Groups
2
Relation Preview
4

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Vulgaxanthin-i
Molecular Formula
C14H17N3O7
Molecular Weight
No data
Canonical SMILES
C1C(NC(=CC1=CC=NC(CCC(=O)N)C(=O)O)C(=O)O)C(=O)O
Isomeric SMILES
C\1[C@H](NC(=C/C1=C/C=N[C@@H](CCC(=O)N)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C14H17N3O7/c15-11(18)2-1-8(12(19)20)16-4-3-7-5-9(13(21)22)17-10(6-7)14(23)24/h3-5,8,10,17H,1-2,6H2,(H2,15,18)(H,19,20)(H,21,22)(H,23,24)/b7-3-,16-4?/t8-,10-/m0/s1
Oral Bioavailability
56.140
Drug Likeness
0.353
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.

Active Targets

ingredient target3 Targets
03
PTGS2
prostaglandin-endoperoxide synthase 2
prostaglandin-endoperoxide synthase 2