IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
a curated database
HOME
BROWSE
BASIC SEARCH
ADVANCED SEARCH
STATISTICS
ACKNOWLEDGEMENT
HELP
IMPPAT Phytochemical information:
Cinnamoyl
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015558
Phytochemical name:
Cinnamoyl
Synonymous chemical names:
cinnamoyl
External chemical identifiers:
CID:11982167
,
SureChEMBL:SCHEMBL27745
Chemical structure information
SMILES:
O=[C]C=Cc1ccccc1
InChI:
InChI=1S/C9H7O/c10-8-4-7-9-5-2-1-3-6-9/h1-7H
InChIKey:
AJSWOFGOXSEBNS-UHFFFAOYSA-N
DeepSMILES:
O=[C]C=Ccccccc6
Functional groups:
cC=C[C]=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:
Benzenoids
ClassyFire Class:
Benzene and substituted derivatives
ClassyFire Subclass:
Styrenes
NP Classifier Biosynthetic pathway:
Shikimates and Phenylpropanoids
NP Classifier Superclass:
Phenylpropanoids (C6-C3)
NP-Likeness score:
0.209
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
Top