Natural Product (NP) Details

General Information of the NP (ID: NP0822)
Name
Cinnamaldehyde
Synonyms
cinnamic aldehyde
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Species Origin Muhlenbergia tenuissima ...     Click to Show/Hide
Muhlenbergia tenuissima
Kingdom: Viridiplantae
Phylum: Streptophyta
Class: Magnoliopsida
Order: Poales
Family: Poaceae
Genus: Muhlenbergia
Species: Muhlenbergia tenuissima
Disease Fusarium sambucinum infection [ICD-11: 1F2Z] Investigative [1]
Structure
Click to Download Mol
2D MOL

3D MOL

ADMET Property
Absporption
Caco-2 Permeability
 -4.767
 
MDCK Permeability
 -4.639
 
PAMPA
 - -
 
HIA
 - - -
 
Distribution
VDss
 -0.415
 
PPB
 94.9%
 
BBB
 +
 
Metabolism
CYP1A2 inhibitor
 +++
CYP1A2 substrate
 - - -
CYP2C19 inhibitor
 +++
CYP2C19 substrate
 - - -
CYP2C9 inhibitor
 +++
CYP2C9 substrate
 ++
CYP2D6 inhibitor
 - -
CYP2D6 substrate
 +++
CYP3A4 inhibitor
 - - -
CYP3A4 substrate
 - - -
CYP2B6 inhibitor
 +++
CYP2B6 substrate
 - - -
CYP2C8 inhibitor
 +++
HLM Stability
 - - -
 
Excretion
CLplasma
 11.086
 
T1/2
 1.395
Toxicity
DILI
 - -
 
Rat Oral Acute Toxicity
 -
 
FDAMDD
 -
 
Respiratory
 -
 
Human Hepatotoxicity
 +
 
Ototoxicity
 - -
 
Drug-induced Nephrotoxicity
 -
 
Drug-induced Neurotoxicity
 ++
 
Hematotoxicity
 - - -
 
Genotoxicity
 -
 
Tips: 1. For the classification endpoints, the prediction probability values are transformed into six symbols: 0-0.1 (- - -), 0.1-0.3 (- -), 0.3-0.5 (-), 0.5-0.7 (+), 0.7-0.9 (++), and 0.9-1.0 (+++). 2. Additionally, the corresponding relationships of the three labels are as follows: excellent; medium; poor.
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    Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product
Formula
C9H8O
PubChem CID
637511
Canonical SMILES
C1=CC=C(C=C1)C=CC=O
InChI
1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
InChIKey
KJPRLNWUNMBNBZ-QPJJXVBHSA-N
CAS Number
CAS 104-55-2
Herb ID
HBIN020653
ETMC ID
1081
SymMap ID
SMIT00089
TCMSP ID
MOL000991
TTD Drug ID
D0PJ3M
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP
          Doxorubicin      Solid tumour/cancer     Click to Show/Hide the Molecular Data of This Drug
                 Augmenting Drug Sensitivity     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation		 Up-regulation Expression BAX  Molecule Info 
Pathway MAP
Down-regulation Expression BCL-2  Molecule Info 
Pathway MAP
                    In-vitro Model U-87MG ATCC CVCL_0022 Glioblastoma Homo sapiens
                    Experimental
                    Result(s)		 Cinnamaldehyde is able to enhance the apoptosis induced by DOX on human glioblastoma cells.
Target and Pathway
Target(s) Transformation-sensitive p120 (TRPA1)  Molecule Info  [3]
Transient receptor cation channel V3 (TRPV3)  Molecule Info  [4]
KEGG Pathway Inflammatory mediator regulation of TRP channels Click to Show/Hide
Reactome TRP channels Click to Show/Hide
References
Reference 1 Antifungal activity of cinnamaldehyde against Fusarium sambucinum involves inhibition of ergosterol biosynthesis. J Appl Microbiol. 2020 Aug;129(2):256-265.
Reference 2 Evaluation of the cytotoxic and apoptogenic effects of cinnamaldehyde on U87MG cells alone and in combination with doxorubicin. Res Pharm Sci. 2020 Feb 20;15(1):26-35.
Reference 3 Noxious cold ion channel TRPA1 is activated by pungent compounds and bradykinin. Neuron. 2004 Mar 25;41(6):849-57.
Reference 4 More than cool: promiscuous relationships of menthol and other sensory compounds. Mol Cell Neurosci. 2006 Aug;32(4):335-43.
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