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cinnamic aldehyde - Substance Summary (SID 150798)

a flavoring agent; an antimutagen but recent studies showed that high doses of cinnamaldehyde in the liver may produce a clastogenic and possibly a promoting effect for hepatocarcinogenesis; RN given refers to cpd without isomeric designation; structure


Drug and Chemical Information: (Total:2)         Display: Next 1 | All

Pharmacological Action

Antineoplastic Agents, Phytogenic - Agents obtained from higher plants that have demonstrable cytostatic or antineoplastic activity.

Flavoring Agents - Substances added to foods and medicine to improve the quality of taste.

Antimutagenic Agents - Agents that reduce the frequency or rate of spontaneous or induced mutations independently of the mechanism involved.


  Pharmacological Classification
Chemical Actions and Uses
      Pharmacologic Actions
            Physiological Effects of Drugs
                  Protective Agents
                        Antimutagenic Agents
            Therapeutic Uses
                  Antineoplastic Agents
                        Antineoplastic Agents, Phytogenic
      Specialty Uses of Chemicals
            Flavoring Agents
            Protective Agents
                  Antimutagenic Agents


Safety and Toxicology

HSDB - Peer-reviewed summary of toxicity and biomedical effects

CCRIS - Carcinogenicity, tumor promotion, tumor inhibition, and mutagenicity tests

EINECS - European Inventory of Existing Commercial Chemical Substances

Haz-Map - Occupational toxicology information

TOXLINE - Citations to the toxicological literature

NTP DBS - Toxicological assay results

Household Products - Information on household products containing a chemical


Literature

Literature Keyword Mining Tool



Data Source:   

Depositor: ChemIDplus
External ID: 000104552

Depositor-Supplied Synonyms: (Total: 37)
Display: Next 10 | All | Sort:
cinnamaldehyde
Phenylacrolein
Zimtaldehyde
Cinnamal
Cinnamic aldehyde
Cassia aldehyde
Cinnamylaldehyde
Cinnemaldehyde
3-Phenylacrolein
3-Phenylpropenal


Properties Computed from Structure:
Molecular Weight132.15922 [g/mol]
Molecular FormulaC9H8O
XLogP31.9
H-Bond Donor0
H-Bond Acceptor1
Rotatable Bond Count2
Exact Mass132.057515
MonoIsotopic Mass132.057515
Topological Polar Surface Area17.1
Heavy Atom Count10
Formal Charge0
Complexity121
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count1
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: (E)-3-phenylprop-2-enal
Canonical SMILES: C1=CC=C(C=C1)C=CC=O
Isomeric SMILES: C1=CC=C(C=C1)/C=C/C=O
InChI: InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
InChIKey: KJPRLNWUNMBNBZ-QPJJXVBHSA-N


Substance Information:
SID 150798   
Deposit Date: 2005-08-08
Modify Date: 2006-04-28

CID 637511   
Create Date: 2004-09-16

Related Substances:
Same: 44 Links
Same, Connectivity: 58 Links

Similar Substances: 797 Links

     
Compound Displayed

2D

3D

Compound ID637511
Molecular Weight132.15922 [g/mol]
Molecular FormulaC9H8O
XLogP31.9
H-Bond Donor0
H-Bond Acceptor1


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