Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005390

Phytochemical name: cis-Cinnamaldehyde

Synonymous chemical names:
cinnamaldehyde (z), cis-cinnamaldehyde, (Z)-cinnamaldehyde, cis-Cinnamaldehyde, (z )-cinnamaldehyde, (z)-cinnamaldehyde

External chemical identifiers:
CID:CID_6428995, ChEMBL:CHEMBL2289233, ChEBI:CHEBI:89729, ZINC:ZINC000013523661, FDASRS:W3HD274KF5, SureChEMBL:SCHEMBL159856

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Chemical structure information

SMILES:
O=C/C=C\c1ccccc1

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=C\cccccc6

Functional groups:
c/C=C\C=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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

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Chemical structure download