DICL_CP_0307516 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0307516

PubChem CID

637511

Molecular Formula

C₉H₈O

Molecular Weight

132.162 g/mol

Synonyms/Alias

[cinnamaldehyde; trans-Cinnamaldehyde; 14371-10-9; 104-55-2; Cinnamic aldehyde; 3-Phenylacrylaldehyde; (E)-Cinnamaldehyde; Cinnamal; Zimtaldehyde; 2-Propenal; 3-phenyl-; (2E)-3-phenylprop-2-enal; 3-Ph...[cinnamaldehyde; trans-Cinnamaldehyde; 14371-10-9; 104-55-2; Cinnamic aldehyde; 3-Phenylacrylaldehyde; (E)-Cinnamaldehyde; Cinnamal; Zimtaldehyde; 2-Propenal; 3-phenyl-; (2E)-3-phenylprop-2-enal; 3-Phenylpropenal; trans-Cinnamic aldehyde; Phenylacrolein; Cinnamylaldehyde; (E)-3-phenylprop-2-enal; (E)-3-Phenylpropenal; (E)-3-Phenyl-2-propenal; 2-propenal; 3-phenyl-; (2E)-; Cassia aldehyde; 3-Phenylacrolein; 3-phenylprop-2-enal; Cinnemaldehyde; Cinnamyl aldehyde; Abion CA; Cinnamaldehyde; (E)-; trans-Cinnamylaldehyde; Benzylideneacetaldehyde; beta-Phenylcrolein; 3-Phenyl-2-propenal; 3-Phenyl-2-propenaldehyde; Acrolein; 3-phenyl-; 3-Fenylpropenal; FEMA No. 2286; 3-Phenyl-2-propen-1-al; trans-3-Phenyl-2-propenal; (E)-Cinnamic aldehyde; NCI-C56111; 2-Propenal; 3-phenyl-; (E)-; (2E)-3-phenylacrylaldehyde; .beta.-phenylacrolein; CHEBI:16731; Cinnamaldehyde; trans-; (E)-3-Phenyl-propenal; MFCD00007000; NSC-16935; NSC-40346; SR60A3XG0F; (3E)-3-phenylprop-2-enal; (2E)-3-Phenyl-2-propenal; CHEMBL293492; Aldehyd skoricovy; DTXSID6024834; XC-800; NCGC00091512-04; NSC 16935; WLN: VH1U1R; DTXCID504834; Caswell No. 221A; FEMA Number 2286; 3-Fenylpropenal [Czech]; Aldehyd skoricovy [Czech]; Cinnamic aldehyde (natural); Hefty Dog and Cat Repellent; CAS-14371-10-9; CCRIS 3189; CCRIS 6222; Cinnamaldehyde [NF]; HSDB 209; EINECS 203-213-9; UNII-SR60A3XG0F; DTXSID1024835; EPA Pesticide Chemical Code 040506; BRN 0605737; BRN 1071571; e-cinnamaldehyde; AI3-00473; AI3-33275; transcinnamaldehyde; trans cinnamaldehyde; CNMA; (trans)-cinnamaldehyde; trans cinnamic aldehyde; trans-3-Phenylacrolein; trans-3-phenyl-propenal; (E)-phenylvinyl aldehyde; (E)-3-phenylacrylaldehyde; bmse010257; Epitope ID:150921; CINNAMALDEHYDE [II]; CINNAMALDEHYDE [MI]; EC 203-213-9; trans-3-Phenylacrylaldehyde; Trans-Cinnamaldehyde ;(S); SCHEMBL3441; trans-Cinnamaldehyde; 99%; (E)-3-phenyl-acrylaldehyde; CINNAMALDEHYDE [FCC]; trans-Cinnamaldehyde; trans-3-Phenylacrylaldehyde; Cinnamaldehyde (trans); neat; CINNAMALDEHYDE [FHFI]; CINNAMALDEHYDE [HSDB]; 2-07-00-00273 (Beilstein Handbook Reference); 4-07-00-00984 (Beilstein Handbook Reference); MLS002454394; CINNAMALDEHYDE (TRANS); trans-Cinnamaldehyde; >=99%; DTXCID904835; GTPL2423; (E)-cinnamaldehyde (incorrect); CINNAMALDEHYDE [USP-RS]; CINNAMALDEHYDE [WHO-DD]; trans-cinnamaldehyde (incorrect); CHEBI:142921; HMS2268O08; HMS3885E04; HY-N0609; NSC16935; NSC40346; Tox21_111144; Tox21_200272; Tox21_201804; Tox21_303271; BDBM50203065; s3763; STK397371; AKOS000119171; Cinnamaldehyde; natural; >=95%; FG; CCG-266119; DB14184; Cinnamaldehyde min. 98%; for synthesis; Cinnamaldehyde 100 microg/mL in Toluene; NCGC00091512-01; NCGC00091512-02; NCGC00091512-05; NCGC00091512-06; NCGC00091512-07; NCGC00257017-01; NCGC00257826-01; NCGC00259353-01; trans-Cinnamaldehyde; analytical standard; AS-12078; AS-75456; CAS-104-55-2; SMR000112334; trans-Cinnamaldehyde; >=98%; FCC; FG; (E)-3-phenyl-2-propenal(E)-cinnamaldehyde; DB-003796; AM20060482; CS-0009609; NS00003408; EN300-19160; C00903; Cinnamaldehyde; Vetec(TM) reagent grade; 93%; D72477; EN300-735819; (E)-Cinnamaldehyde; (2E)-3-phenyl-2-propenal; A801001; Q204036; W-205597; B99DD6C7-1C6D-4FE3-A172-54BFDB987683; Z3219847383; CINNAMALDEHYDE (CONSTITUENT OF CINNAMOMUM VERUM BARK) [DSC]; Cinnamaldehyde; United States Pharmacopeia (USP) Reference Standard; InChI=1/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4; TRANS-CINNAMALDEHYDE (CONSTITUENT OF CINNAMOMUM CASSIA BARK) [DSC]]

InChI Key

KJPRLNWUNMBNBZ-QPJJXVBHSA-N

InChI

InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+

IUPAC Name

(E)-3-phenylprop-2-enal

CAS Number

N/A (Not available)

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

10 10 0 0 0 0 0 0 0 0999 V2000
-3.2921 -0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9989 0.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5783 1...

Download SDF File (933 bytes)

Experimental Data

Activity Data

Target Ion Channel

Transient receptor potential cation channel subfamily M member 8

Uniprot Accession Number

Q8R455

Function

Inhibitor

Species

Rattus norvegicus (Rat)

IC₅₀

IC₅₀: >500000 (0.3 μM icilin) nM

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.4

Holding Potential

Not specified

Temperature

25 °C

Test Method

Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay

Test Species

HEK cell

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1021/np400885u

URL

N/A (Not available)

PMID

24484240

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

1.8987

Complexity

41.54

TPSA (Å²)

17.07

H-Bond Donors

H-Bond Acceptors

Ring Count

New Search

Molecular Details

Basic Molecular Information

Basic Information

Structure Information

Chemical Structure Visualization

Experimental Data

Activity Data

Experimental Conditions

Binding Information

Disease Information

References

Computed Properties