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Ingredients

Neoechinulin a

C19H21N3O2

Entity Type
Ingredients
Relation Groups
2
Relation Preview
6

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Neoechinulin a
Molecular Formula
C19H21N3O2
Molecular Weight
No data
Canonical SMILES
CC1C(=O)NC(=CC2=C(NC3=CC=CC=C32)C(C)(C)C=C)C(=O)N1
Isomeric SMILES
C[C@H]1C(=O)N/C(=C\C2=C(NC3=CC=CC=C32)C(C)(C)C=C)/C(=O)N1
InChI
InChI=1S/C19H21N3O2/c1-5-19(3,4)16-13(12-8-6-7-9-14(12)21-16)10-15-18(24)20-11(2)17(23)22-15/h5-11,21H,1H2,2-4H3,(H,20,24)(H,22,23)/b15-10-/t11-/m0/s1
Oral Bioavailability
No data
Drug Likeness
0.600
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 target4 Targets
02
MAP3K5
mitogen-activated protein kinase kinase kinase 5
mitogen-activated protein kinase kinase kinase 5
03
MAPK1
mitogen-activated protein kinase 1
mitogen-activated protein kinase 1