Natural Product: NPC175931

Natural Product ID:  NPC175931
Common Name:   Drosophilin A
IUPAC Name:   2,3,5,6-tetrachloro-4-methoxyphenol
Synonyms:  
Molecular Formula:   C7H4Cl4O2
Standard InCHIKey:  XIWJLPHQDBDOAN-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C7H4Cl4O2/c1-13-7-4(10)2(8)6(12)3(9)5(7)11/h12H,1H3
Canonical SMILES:  COc1c(Cl)c(Cl)c(c(c1Cl)Cl)O
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
NPO26288 Phellinus ribis Species Hymenochaetaceae Eukaryota PMID[18667308]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens FC = 8.4 8277308

  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 NPC175931 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
0.8119 Intermediate Similarity NPC63479
0.7557 Intermediate Similarity NPC72636
0.7557 Intermediate Similarity NPC45134
0.7557 Intermediate Similarity NPC258837
0.713 Intermediate Similarity NPC174048
0.696 Remote Similarity NPC205213
0.6852 Remote Similarity NPC157213
0.6818 Remote Similarity NPC322888
0.6715 Remote Similarity NPC475423
0.6615 Remote Similarity NPC235370
0.6614 Remote Similarity NPC67791
0.6587 Remote Similarity NPC204617
0.6515 Remote Similarity NPC8058
0.6508 Remote Similarity NPC161768
0.6493 Remote Similarity NPC246991
0.6481 Remote Similarity NPC33756
0.6471 Remote Similarity NPC139335
0.6397 Remote Similarity NPC193334
0.633 Remote Similarity NPC23837
0.6241 Remote Similarity NPC33402
0.6186 Remote Similarity NPC307039
0.6182 Remote Similarity NPC38459
0.6121 Remote Similarity NPC114325
0.6121 Remote Similarity NPC16649
0.6042 Remote Similarity NPC252901
0.6019 Remote Similarity NPC124576
0.6016 Remote Similarity NPC232654
0.5981 Remote Similarity NPC65517
0.5968 Remote Similarity NPC233320
0.5968 Remote Similarity NPC124712
0.592 Remote Similarity NPC187958
0.5878 Remote Similarity NPC200207
0.5852 Remote Similarity NPC90577
0.5833 Remote Similarity NPC15350
0.5827 Remote Similarity NPC43411
0.5814 Remote Similarity NPC91452
0.5794 Remote Similarity NPC241549
0.5785 Remote Similarity NPC314803
0.5781 Remote Similarity NPC275627
0.5743 Remote Similarity NPC182475
0.5739 Remote Similarity NPC206876
0.5736 Remote Similarity NPC98372
0.5726 Remote Similarity NPC12987
0.5726 Remote Similarity NPC318429
0.5726 Remote Similarity NPC474603
0.5725 Remote Similarity NPC244403
0.5705 Remote Similarity NPC56379
0.5703 Remote Similarity NPC247871
0.569 Remote Similarity NPC47422
0.568 Remote Similarity NPC17537
0.568 Remote Similarity NPC307875
0.5677 Remote Similarity NPC282294
0.5669 Remote Similarity NPC146096
0.5664 Remote Similarity NPC76453
0.5662 Remote Similarity NPC42644
0.5659 Remote Similarity NPC266932
0.5656 Remote Similarity NPC100870
0.5645 Remote Similarity NPC305205
0.5643 Remote Similarity NPC26576
0.5641 Remote Similarity NPC302546
0.5635 Remote Similarity NPC113457
0.5635 Remote Similarity NPC164576
0.5635 Remote Similarity NPC473653
0.5615 Remote Similarity NPC474920
0.5607 Remote Similarity NPC100980
0.56 Remote Similarity NPC130817

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC175931 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
0.7458 Intermediate Similarity NPD9685 Approved
0.696 Remote Similarity NPD915 Approved
0.6852 Remote Similarity NPD9295 Approved
0.6589 Remote Similarity NPD1157 Approved
0.6338 Remote Similarity NPD1338 Clinical (unspecified phase)
0.625 Remote Similarity NPD9501 Approved
0.6231 Remote Similarity NPD1010 Approved
0.623 Remote Similarity NPD9552 Approved
0.6182 Remote Similarity NPD9073 Approved
0.6121 Remote Similarity NPD9296 Approved
0.6016 Remote Similarity NPD911 Approved
0.5981 Remote Similarity NPD9088 Approved
0.5957 Remote Similarity NPD1184 Approved
0.5894 Remote Similarity NPD2370 Clinical (unspecified phase)
0.5887 Remote Similarity NPD968 Approved
0.587 Remote Similarity NPD454 Approved
0.5736 Remote Similarity NPD769 Approved
0.5726 Remote Similarity NPD9365 Approved
0.5725 Remote Similarity NPD191 Approved
0.5677 Remote Similarity NPD958 Approved
0.5625 Remote Similarity NPD910 Approved
0.5613 Remote Similarity NPD1714 Approved
0.5613 Remote Similarity NPD1715 Phase 1
0.5607 Remote Similarity NPD9087 Approved

Structure

External Identifiers

PubChem CID   68088
ChEMBL   CHEMBL485806
ZINC  

Physicochemical Properties

Molecular Weight:  259.90
ALogP:  2.4651
MLogP:  1.57
XLogP:  1.773
# Rotatable Bonds:  7
Polar Surface Area:  29.46
# H-Bond Aceptor:  0
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  13

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs