Natural Product: NPC142492

Natural Product ID:  NPC142492
Common Name:   Cyclopentane
IUPAC Name:   cyclopentane
Synonyms:   Cyclopentane
Molecular Formula:   C5H10
Standard InCHIKey:  RGSFGYAAUTVSQA-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2
Canonical SMILES:  C1CCCC1
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
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT150 Individual Protein Anthrax lethal factor Bacillus anthracis Potency = 25118.9 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 21227.6 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 24022.7 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 6712.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29984.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 60342.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30242.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11.9 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 NPC142492 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
0.75 Intermediate Similarity NPC187095
0.6923 Remote Similarity NPC150271
0.6429 Remote Similarity NPC236495
0.6111 Remote Similarity NPC59846
0.6 Remote Similarity NPC98925
0.5625 Remote Similarity NPC224874
0.5625 Remote Similarity NPC110911

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC142492 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   9253
ChEMBL   CHEMBL1370850
ZINC  

Physicochemical Properties

Molecular Weight:  70.08
ALogP:  -1.44
MLogP:  2.01
XLogP:  2.845
# Rotatable Bonds:  0
Polar Surface Area:  0
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  5

Download Data

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Similar NPs/Drugs