Natural Product: NPC123273

Natural Product ID:  NPC123273
Common Name:   4-Nonylphenol
IUPAC Name:   4-nonylphenol
Synonyms:   4-Nonyl-Phenol; 4-Nonylphenol; Nonylphenol
Molecular Formula:   C15H24O
Standard InCHIKey:  IGFHQQFPSIBGKE-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3
Canonical SMILES:  CCCCCCCCCc1ccc(cc1)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 NPC123273 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 NPC123273 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   1752
ChEMBL   CHEMBL153062
ZINC  

Physicochemical Properties

Molecular Weight:  220.18
ALogP:  -2.3626
MLogP:  3
XLogP:  6.919
# Rotatable Bonds:  10
Polar Surface Area:  20.23
# H-Bond Aceptor:  0
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  16

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Similar NPs/Drugs