Natural Product: NPC262768

Natural Product ID:  NPC262768
Common Name:   Endosulfan
IUPAC Name:  
Synonyms:  
Molecular Formula:   C9H6Cl6O3S
Standard InCHIKey:  RDYMFSUJUZBWLH-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2
Canonical SMILES:  O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl
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
NPO15826 Cortex magnoliae officinalis NA NA NA TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT299 Individual Protein Androgen Receptor Rattus norvegicus IC50 = 23442.29 nM 16134935
NPT1587 Individual Protein Estradiol 17-beta-dehydrogenase 1 Homo sapiens Activity = 25 % 18533708
NPT1588 Individual Protein Estradiol 17-beta-dehydrogenase 2 Homo sapiens Activity = 51.1 % 18533708
NPT1587 Individual Protein Estradiol 17-beta-dehydrogenase 1 Homo sapiens IC50 = 48250 nM 18533708
NPT347 Cell Line Lymphoblastoid cells Homo sapiens Potency = 50118.7 nM PubChem BioAssay data set
NPT347 Cell Line Lymphoblastoid cells Homo sapiens Potency = 79432.8 nM PubChem BioAssay data set
NPT347 Cell Line Lymphoblastoid cells Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT347 Cell Line Lymphoblastoid cells Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 31622.8 nM PubChem BioAssay data set
NPT150 Individual Protein Anthrax lethal factor Bacillus anthracis Potency = 19952.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 25118.9 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 2511.9 nM PubChem BioAssay data set
NPT533 Protein-Protein Interaction Runt-related transcription factor 1/Core-binding factor subunit beta Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens Potency 1412.5 nM PubChem BioAssay data set
NPT98 Individual Protein HERG Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Inhibition > 80 % 8917702
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 66824.2 nM PubChem BioAssay data set
NPT102 Individual Protein Interleukin-8 Homo sapiens Potency 66824.2 nM PubChem BioAssay data set
NPT866 Individual Protein Peroxisome proliferator-activated receptor alpha Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 42163.2 nM PubChem BioAssay data set
NPT103 Individual Protein Nuclear receptor ROR-gamma Homo sapiens Potency 21131.7 nM PubChem BioAssay data set
NPT118 Organism Oryza sativa Oryza sativa Activity = 3.31 ug 10.1016/j.cropro.2010.11.008
NPT118 Organism Oryza sativa Oryza sativa Activity = 3.38 ug 10.1016/j.cropro.2010.11.008
NPT118 Organism Oryza sativa Oryza sativa Activity = 16.56 ug 10.1016/j.cropro.2010.11.008
NPT118 Organism Oryza sativa Oryza sativa Activity = 18.33 ug 10.1016/j.cropro.2010.11.008
NPT118 Organism Oryza sativa Oryza sativa Activity = 21.75 ug 10.1016/j.cropro.2010.11.008
NPT118 Organism Oryza sativa Oryza sativa Activity = 0.01 ug 10.1016/j.cropro.2010.11.008
NPT118 Organism Oryza sativa Oryza sativa Activity = 7.94 ug 10.1016/j.cropro.2010.11.008
NPT118 Organism Oryza sativa Oryza sativa Activity = 8.26 ug 10.1016/j.cropro.2010.11.008
NPT118 Organism Oryza sativa Oryza sativa Activity = 34.55 ug 10.1016/j.cropro.2010.11.008
NPT118 Organism Oryza sativa Oryza sativa Activity = 34.02 ug 10.1016/j.cropro.2010.11.008
NPT118 Organism Oryza sativa Oryza sativa Activity = 2.46 ug 10.1016/j.cropro.2010.11.008
NPT118 Organism Oryza sativa Oryza sativa Activity = 2.4 ug 10.1016/j.cropro.2010.11.008
NPT118 Organism Oryza sativa Oryza sativa Activity = 0.005 ug 10.1016/j.cropro.2010.11.008
NPT118 Organism Oryza sativa Oryza sativa Activity = 7.78 ug 10.1016/j.cropro.2010.11.008
NPT118 Organism Oryza sativa Oryza sativa Activity = 17.08 ug 10.1016/j.cropro.2010.11.008
NPT118 Organism Oryza sativa Oryza sativa Activity = 7.83 ug 10.1016/j.cropro.2010.11.008
NPT118 Organism Oryza sativa Oryza sativa Activity = 5.98 ug 10.1016/j.cropro.2010.11.008
NPT118 Organism Oryza sativa Oryza sativa Activity = 7.17 ug 10.1016/j.cropro.2010.11.008
NPT118 Organism Oryza sativa Oryza sativa Activity = 0.03 ug 10.1016/j.cropro.2010.11.008
NPT118 Organism Oryza sativa Oryza sativa Activity = 28.12 ug 10.1016/j.cropro.2010.11.008
NPT5551 Organism Sogatella furcifera Sogatella furcifera GI = 2.24 % 10.1016/j.cropro.2010.11.008
NPT5551 Organism Sogatella furcifera Sogatella furcifera GI = 5.66 % 10.1016/j.cropro.2010.11.008
NPT5551 Organism Sogatella furcifera Sogatella furcifera Survival = 32.22 % 10.1016/j.cropro.2010.11.008
NPT5551 Organism Sogatella furcifera Sogatella furcifera Survival = 67.5 % 10.1016/j.cropro.2010.11.008
NPT5551 Organism Sogatella furcifera Sogatella furcifera Ratio < 1 10.1016/j.cropro.2010.11.008
NPT3915 Organism Helicoverpa armigera Helicoverpa armigera Ratio = 0.7 19548293
NPT3915 Organism Helicoverpa armigera Helicoverpa armigera LD50 = 37.6 microgAi/g 19548293
NPT3915 Organism Helicoverpa armigera Helicoverpa armigera LD50 = 27.5 microgAi/g 19548293
NPT3915 Organism Helicoverpa armigera Helicoverpa armigera LD50 = 37.9 microgAi/g 19548293
NPT3915 Organism Helicoverpa armigera Helicoverpa armigera LD50 = 36.2 microgAi/g 19548293
NPT3915 Organism Helicoverpa armigera Helicoverpa armigera LD50 = 34 microgAi/g 19548293
NPT3915 Organism Helicoverpa armigera Helicoverpa armigera LD50 = 25.9 microgAi/g 19548293
NPT3915 Organism Helicoverpa armigera Helicoverpa armigera Ratio = 1 19548293
NPT3915 Organism Helicoverpa armigera Helicoverpa armigera Ratio = 0.1 19548293
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 117.81 % 23571415
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 111.64 % 23571415
NPT2 Others Unspecified Potency 43694.6 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 38942.8 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 61192.7 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 48942.3 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 68519.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 55008.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24529.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61614.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68519.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1935.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 76880.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61720.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 38857.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68659.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54914.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54427.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 38876.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15848.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24311.8 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 68659.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61192.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12209.6 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 61068.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 49026.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61068.4 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 55008.2 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 61614.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 38942.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 66824.2 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 55008.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 34341.3 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 24529.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30669 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 55008.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27333.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54538.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48508.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48607.1 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 54914.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21712 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 54914.1 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 38876.2 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 55008.2 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 38942.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48942.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 19517.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21861.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 43321.1 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 NPC262768 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
0.679 Remote Similarity NPC314496

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC262768 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   3224
ChEMBL   CHEMBL194399
ZINC  

Physicochemical Properties

Molecular Weight:  403.82
ALogP:  2.166
MLogP:  1.35
XLogP:  0.839
# Rotatable Bonds:  6
Polar Surface Area:  54.74
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  19

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs