IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
a curated database
HOME
BROWSE
BASIC SEARCH
ADVANCED SEARCH
STATISTICS
ACKNOWLEDGEMENT
HELP
IMPPAT Phytochemical information:
cis-Cinnamaldehyde
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY011983
Phytochemical name:
cis-Cinnamaldehyde
Synonymous chemical names:
(z )-cinnamaldehyde, (z)-cinnamaldehyde, cinnamaldehyde (z), cis-cinnamaldehyde
External chemical identifiers:
CID:6428995
,
ChEMBL:CHEMBL2289233
,
ChEBI:89729
,
ZINC:ZINC000013523661
,
FDASRS:W3HD274KF5
,
SureChEMBL:SCHEMBL159856
Chemical structure information
SMILES:
O=C/C=Cc1ccccc1
InChI:
InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4-
InChIKey:
KJPRLNWUNMBNBZ-DAXSKMNVSA-N
DeepSMILES:
O=C/C=Ccccccc6
Functional groups:
c/C=CC=O
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccccc1
Scaffold Graph/Node level:
C1CCCCC1
Scaffold Graph level:
C1CCCCC1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Phenylpropanoids and polyketides
ClassyFire Class:
Cinnamaldehydes
NP Classifier Biosynthetic pathway:
Shikimates and Phenylpropanoids
NP Classifier Superclass:
Phenylpropanoids (C6-C3)
NP Classifier Class:
Cinnamic acids and derivatives
NP-Likeness score:
0.81
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
Top