Log in
Browse
Membranes
Methods
Transporters
Sets
Search
Statistics
Lab
Documentation

Cinnamic Acid

2D Structure
3D Structure
Source:
General
Identifier MM00848
SMILES O=C(O)C=Cc1ccccc1
InChIKey WBYWAXJHAXSJNI-UHFFFAOYSA-N
MW [Da] 148.16

Automatically obtained from RDkit software.
LogP 1.78

Automatically obtained from RDkit software.
Links

PubChem

 444539

DrugBank

 N/A

ChEBI

 N/A

PDB

 N/A

ChEMBL

 N/A
Similar entries
Cinnamyl Alcohol
Similarity: 0.771
Similarity to Cinnamyl Alcohol
Tanimoto metric 0.771
Cosine metric 0.8781
Dice metric 0.8707
MW:
134.18
PI:
4
Total passive interactions
Cinnamic Acid
 4
Cinnamyl Alcohol
 4
LogP:
1.69
AI:
0
Total active interactions
Cinnamic Acid
 1
Cinnamyl Alcohol
 0
(E)-3-phenylprop-2-enal
Similarity: 0.7634
Similarity to (E)-3-phenylprop-2-enal
Tanimoto metric 0.7634
Cosine metric 0.8737
Dice metric 0.8658
MW:
132.16
PI:
4
Total passive interactions
Cinnamic Acid
 4
(E)-3-phenylprop-2-enal
 4
LogP:
1.9
AI:
0
Total active interactions
Cinnamic Acid
 1
(E)-3-phenylprop-2-enal
 0
Trans-4-hydroxycinnamate
Similarity: 0.7443
Similarity to Trans-4-hydroxycinnamate
Tanimoto metric 0.7443
Cosine metric 0.8627
Dice metric 0.8534
MW:
164.16
PI:
1
Total passive interactions
Cinnamic Acid
 4
Trans-4-hydroxycinnamate
 1
LogP:
1.49
AI:
1
Total active interactions
Cinnamic Acid
 1
Trans-4-hydroxycinnamate
 1
+14 more

No data

Methods

Computed
Q-based
QSAR

No data

Hide empty columns:
Target
Uniprot ID
Type
pKm
pEC50
pKi
pIC50
Primary
reference
Secondary
reference
Note
SLC16A1
Non-inhibitor
3.22

Poole RC, Halestrap AP.: Transport of lactate and other monocarboxylates across mammalian plasma membranes. Am J Physiol, Volume 264 (4 pt 1), 1993

Poole RC, Halestrap AP.: Transport of lactate and other monocarboxylates across mammalian plasma membranes. Am J Physiol, Volume 264 (4 pt 1), 1993

Mak L, Marcus D, Howlett A, Yarova G, Duchateau G, Klaffke W, Bender A, Glen RC.: Metrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modeling. J Cheminform, Volume 7, 31, 2015

Mak L, Marcus D, Howlett A, Yarova G, Duchateau G, Klaffke W, Bender A, Glen RC.: Metrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modeling. J Cheminform, Volume 7, 31, 2015