Natural Product: NPC14234

Natural Product ID:  NPC14234
Common Name:   Hydroxy-Gamma-Sanshool
IUPAC Name:   (2E,4E,8Z,10E,12E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide
Synonyms:  
Molecular Formula:   C18H27NO2
Standard InCHIKey:  CRPPMKFSMRODIQ-JDXPBYPHSA-N
Standard InCHI:  InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8-,13-12+,15-14+
Canonical SMILES:  C/C=C/C=C/C=CCC/C=C/C=C/C(=NCC(O)(C)C)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

  Biological Activity

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC14234 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC14234 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Structure

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External Identifiers

PubChem CID   14135317
ChEMBL   CHEMBL3086846
ZINC  

Physicochemical Properties

Molecular Weight:  289.20
ALogP:  3.0226
MLogP:  3.11
XLogP:  4.954
# Rotatable Bonds:  14
Polar Surface Area:  52.82
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  21

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Similar NPs/Drugs