Natural Product: NPC166837

Natural Product ID:  NPC166837
Common Name:   Piperovatine
IUPAC Name:   (2E,4E)-6-(4-methoxyphenyl)-N-(2-methylpropyl)hexa-2,4-dienamide
Synonyms:   Piperovatine
Molecular Formula:   C17H23NO2
Standard InCHIKey:  IHRWUVSXOBLEJV-DVBIZMGNSA-N
Standard InCHI:  InChI=1S/C17H23NO2/c1-14(2)13-18-17(19)8-6-4-5-7-15-9-11-16(20-3)12-10-15/h4-6,8-12,14H,7,13H2,1-3H3,(H,18,19)/b5-4+,8-6+
Canonical SMILES:  COc1ccc(cc1)C/C=C/C=C/C(=NCC(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 NPC166837 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 NPC166837 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   5374352
ChEMBL   CHEMBL250442
ZINC  

Physicochemical Properties

Molecular Weight:  273.17
ALogP:  1.377
MLogP:  3
XLogP:  4.588
# Rotatable Bonds:  11
Polar Surface Area:  41.82
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  20

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Similar NPs/Drugs