IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
a curated database
HOME
BROWSE
BASIC SEARCH
ADVANCED SEARCH
STATISTICS
ACKNOWLEDGEMENT
HELP
IMPPAT Phytochemical information:
Lansiumamide A
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY001795
Phytochemical name:
Lansiumamide A
Synonymous chemical names:
lansiumamide a, lansiumamide a(n-cis-styryl cinnamamide)
External chemical identifiers:
CID:11414008
Chemical structure information
SMILES:
O=C(/C=C/c1ccccc1)N/C=Cc1ccccc1
InChI:
InChI=1S/C17H15NO/c19-17(12-11-15-7-3-1-4-8-15)18-14-13-16-9-5-2-6-10-16/h1-14H,(H,18,19)/b12-11+,14-13-
InChIKey:
DAZFHZLCFLDNPG-WCYNZMGESA-N
DeepSMILES:
O=C/C=C/cccccc6))))))))N/C=Ccccccc6
Functional groups:
c/C=CNC(=O)/C=C/c
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)NC=Cc1ccccc1
Scaffold Graph/Node level:
OC(CCC1CCCCC1)NCCC1CCCCC1
Scaffold Graph level:
CC(CCCC1CCCCC1)CCC1CCCCC1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Phenylpropanoids and polyketides
ClassyFire Class:
Cinnamic acids and derivatives
ClassyFire Subclass:
Cinnamic acid amides
NP Classifier Biosynthetic pathway:
Shikimates and Phenylpropanoids
NP Classifier Superclass:
Phenylpropanoids (C6-C3)
NP-Likeness score:
0.403
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
Top