Natural Product: NPC234888

Natural Product ID:  NPC234888
Common Name:   1-Iodohexadecane
IUPAC Name:   1-iodohexadecane
Synonyms:  
Molecular Formula:   C16H33I
Standard InCHIKey:  KMWHQYDMBYABKL-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C16H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
Canonical SMILES:  CCCCCCCCCCCCCCCCI
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO16841 Elsholtzia bodinieri Species Lamiaceae Eukaryota TCMID*
NPO9927 Crinum asiaticum Species Amaryllidaceae Eukaryota TCMID*
NPO13080 Gomphrena globosa Species Amaranthaceae Eukaryota TCMID*
NPO9927.2 Crinum asiaticum var. sinicum Varieties Amaryllidaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 13335.8 nM PubChem BioAssay data set

  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 NPC234888 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.85 High Similarity NPC26974
0.85 High Similarity NPC239406
0.85 High Similarity NPC154477
0.85 High Similarity NPC77249
0.85 High Similarity NPC26229
0.8 Intermediate Similarity NPC89422
0.75 Intermediate Similarity NPC136996
0.75 Intermediate Similarity NPC82648
0.75 Intermediate Similarity NPC64370
0.75 Intermediate Similarity NPC227986
0.75 Intermediate Similarity NPC278711
0.75 Intermediate Similarity NPC302327
0.75 Intermediate Similarity NPC273385
0.7083 Intermediate Similarity NPC47161
0.7 Intermediate Similarity NPC224874
0.6538 Remote Similarity NPC172053
0.65 Remote Similarity NPC98925
0.6296 Remote Similarity NPC256060
0.6296 Remote Similarity NPC29199
0.6 Remote Similarity NPC127355
0.5926 Remote Similarity NPC287807
0.5862 Remote Similarity NPC76765
0.5862 Remote Similarity NPC179103

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC234888 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
NPD

Structure

External Identifiers

PubChem CID   11007
ChEMBL   CHEMBL1233571
ZINC  

Physicochemical Properties

Molecular Weight:  352.16
ALogP:  -2.549
MLogP:  3.11
XLogP:  9.691
# Rotatable Bonds:  16
Polar Surface Area:  0
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  17

Download Data

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Similar NPs/Drugs