General Information of the Compound
Compound ID
CP0037443
Compound Name
(2E)-3-phenylprop-2-enoic acid
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Synonyms
(2E)-3-Phenyl-2-propenoic
(2E)-3-phenylprop-2-enoic acid
(E)-3-Phenyl-2-propenoic acid
(E)-3-phenylprop-2-enoic acid
(E)-Cinnamic acid
(E)-cinnamate
140-10-3
3-Phenylacrylic acid
3-Phenylpropenoic acid
3-phenylprop-2-enoic acid
621-82-9
Benzeneacrylic acid
Benzenepropenoic acid
CINNAMIC ACID
Cinnamic acid, (E)-
Cinnamylic acid
E-Cinnamic Acid
Phenylacrylic acid
TRANS-CINNAMIC ACID
Zimtsaeure
cinnamic acid
t-Cinnamic acid
trans-3-Phenyl-2-propenoic acid
trans-3-Phenylacrylic acid
trans-Cinnamate
trans-beta-Carboxystyrene
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Structure
Formula
C9H8O2
Molecular Weight
148.161
Canonical SMILES
OC(=O)\C=C\c1ccccc1
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InChI
InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
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InChIKey
WBYWAXJHAXSJNI-VOTSOKGWSA-N
CAS
621-82-9
140-10-3
102-94-3
Physicochemical Property
logP
1.7844
Rotatable Bonds
2
Heavy Atom Count
11
Polar Areas
37.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
11

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 444539
SID: 15219201
ChEMBL ID
CHEMBL27246
DrugBank ID
DB18313
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01282, Hydroxycarboxylic acid receptor 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 4900 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( cinnamic acid )
Drug Name cinnamic acid
Target(s)
Nicotinic acid receptor (HCAR2)
 Target Info 
Agonist