Natural Product: NPC222684

Natural Product ID:  NPC222684
Common Name:   Spongiadioxin A
IUPAC Name:   3,4,6,8-tetrabromodibenzo-p-dioxin-1-ol
Synonyms:  
Molecular Formula:   C12H4Br4O3
Standard InCHIKey:  SSCRQJOLSHUSSG-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H4Br4O3/c13-4-1-6(15)10-8(2-4)18-11-7(17)3-5(14)9(16)12(11)19-10/h1-3,17H
Canonical SMILES:  Brc1cc(Br)c2c(c1)Oc1c(O2)c(Br)c(cc1O)Br
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
NPO24471 Dysidea dendyi Species Dysideidae Eukaryota PMID[12193037]
NPO24471 Dysidea dendyi Species Dysideidae Eukaryota Australia PMID[11434317]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 > 100000 nM 16499318
NPT792 Individual Protein Arachidonate 15-lipoxygenase Homo sapiens IC50 = 900 nM 16499318
NPT1119 Individual Protein Arachidonate 12-lipoxygenase Homo sapiens IC50 = 50000 nM 16499318
NPT32 Organism Mus musculus Mus musculus LD50 > 150 mg/kg 21534539
NPT2 Others Unspecified IC50 = 4800 nM 9584409
NPT2 Others Unspecified ED50 = 29 ug/ml 19654408

  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 NPC222684 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
1.0 High Similarity NPC206183
0.9754 High Similarity NPC45728
0.96 High Similarity NPC178301
0.9274 High Similarity NPC163019
0.9274 High Similarity NPC1744
0.918 High Similarity NPC41232
0.918 High Similarity NPC63317
0.9106 High Similarity NPC226737
0.9106 High Similarity NPC153580
0.9106 High Similarity NPC299939
0.9032 High Similarity NPC235166
0.9032 High Similarity NPC88733
0.9032 High Similarity NPC137922
0.9032 High Similarity NPC40302
0.9032 High Similarity NPC173511
0.9016 High Similarity NPC104124
0.896 High Similarity NPC64130
0.896 High Similarity NPC159866
0.896 High Similarity NPC175520
0.896 High Similarity NPC295879
0.896 High Similarity NPC97157
0.896 High Similarity NPC25134
0.8943 High Similarity NPC44270
0.8943 High Similarity NPC86007
0.8889 High Similarity NPC68350
0.8889 High Similarity NPC197576
0.8889 High Similarity NPC131940
0.8889 High Similarity NPC81149
0.8889 High Similarity NPC230013
0.888 High Similarity NPC474375
0.8862 High Similarity NPC191194
0.88 High Similarity NPC196371
0.88 High Similarity NPC47769
0.88 High Similarity NPC170824
0.875 High Similarity NPC8577
0.84 Intermediate Similarity NPC264379
0.8268 Intermediate Similarity NPC71186
0.824 Intermediate Similarity NPC221301
0.8175 Intermediate Similarity NPC162294
0.7958 Intermediate Similarity NPC286337
0.7652 Intermediate Similarity NPC214289
0.7651 Intermediate Similarity NPC152947
0.7642 Intermediate Similarity NPC319933
0.7634 Intermediate Similarity NPC76915
0.7634 Intermediate Similarity NPC151617
0.7537 Intermediate Similarity NPC205850
0.7426 Intermediate Similarity NPC228875
0.7426 Intermediate Similarity NPC126216
0.7426 Intermediate Similarity NPC105147
0.7381 Intermediate Similarity NPC307875
0.7292 Intermediate Similarity NPC245386
0.726 Intermediate Similarity NPC271942
0.7226 Intermediate Similarity NPC145780
0.7214 Intermediate Similarity NPC110677
0.7132 Intermediate Similarity NPC124712
0.7103 Intermediate Similarity NPC244890
0.7071 Intermediate Similarity NPC122792
0.7071 Intermediate Similarity NPC228972
0.7054 Intermediate Similarity NPC232654
0.7042 Intermediate Similarity NPC5447
0.7042 Intermediate Similarity NPC250432
0.7014 Intermediate Similarity NPC160081
0.7014 Intermediate Similarity NPC226493
0.7 Intermediate Similarity NPC118794
0.7 Intermediate Similarity NPC192810
0.6993 Remote Similarity NPC226331
0.6993 Remote Similarity NPC46274
0.6984 Remote Similarity NPC314803
0.6972 Remote Similarity NPC189589
0.6972 Remote Similarity NPC469622
0.6972 Remote Similarity NPC181361
0.695 Remote Similarity NPC221090
0.6944 Remote Similarity NPC85049
0.6935 Remote Similarity NPC475466
0.6929 Remote Similarity NPC152722
0.6923 Remote Similarity NPC210355
0.6923 Remote Similarity NPC37074
0.6923 Remote Similarity NPC216836
0.6923 Remote Similarity NPC470699
0.6918 Remote Similarity NPC202762
0.6918 Remote Similarity NPC86655
0.6918 Remote Similarity NPC303011
0.6918 Remote Similarity NPC127624
0.6897 Remote Similarity NPC91291
0.6887 Remote Similarity NPC89341
0.6867 Remote Similarity NPC160932
0.6861 Remote Similarity NPC9248
0.6857 Remote Similarity NPC190454
0.6857 Remote Similarity NPC97432
0.6853 Remote Similarity NPC298845
0.6849 Remote Similarity NPC268342
0.6849 Remote Similarity NPC42760
0.6849 Remote Similarity NPC220825
0.6849 Remote Similarity NPC268266
0.6835 Remote Similarity NPC61516
0.6835 Remote Similarity NPC232084
0.6835 Remote Similarity NPC10932
0.6835 Remote Similarity NPC247364
0.6828 Remote Similarity NPC45824
0.6824 Remote Similarity NPC317380
0.6824 Remote Similarity NPC170694
0.6809 Remote Similarity NPC71579
0.6809 Remote Similarity NPC262253
0.6809 Remote Similarity NPC473411
0.6806 Remote Similarity NPC469621
0.6806 Remote Similarity NPC50368
0.6806 Remote Similarity NPC13004
0.6803 Remote Similarity NPC15658
0.6803 Remote Similarity NPC261619
0.6803 Remote Similarity NPC78770
0.6803 Remote Similarity NPC61477
0.6803 Remote Similarity NPC126029
0.6803 Remote Similarity NPC185604
0.6803 Remote Similarity NPC474134
0.6803 Remote Similarity NPC219876
0.6803 Remote Similarity NPC131128
0.6791 Remote Similarity NPC255068
0.6788 Remote Similarity NPC193067
0.6786 Remote Similarity NPC471486
0.6786 Remote Similarity NPC276195
0.6783 Remote Similarity NPC220311
0.6781 Remote Similarity NPC214860
0.6781 Remote Similarity NPC208769
0.6781 Remote Similarity NPC472338
0.6779 Remote Similarity NPC112246
0.6779 Remote Similarity NPC234333
0.6779 Remote Similarity NPC260898
0.6779 Remote Similarity NPC470356
0.6779 Remote Similarity NPC94750
0.6779 Remote Similarity NPC47398
0.6779 Remote Similarity NPC112939
0.6779 Remote Similarity NPC121812
0.6779 Remote Similarity NPC474206
0.677 Remote Similarity NPC475697
0.6763 Remote Similarity NPC226629
0.6761 Remote Similarity NPC95168
0.6761 Remote Similarity NPC474169
0.6761 Remote Similarity NPC473572
0.6761 Remote Similarity NPC217854
0.6759 Remote Similarity NPC247146
0.6757 Remote Similarity NPC168059
0.6757 Remote Similarity NPC36661
0.6757 Remote Similarity NPC229442
0.6753 Remote Similarity NPC109346
0.6739 Remote Similarity NPC259638
0.6735 Remote Similarity NPC287780
0.6735 Remote Similarity NPC472597
0.6735 Remote Similarity NPC309787
0.6733 Remote Similarity NPC162659
0.6733 Remote Similarity NPC248727
0.6733 Remote Similarity NPC270456
0.6733 Remote Similarity NPC269091
0.6733 Remote Similarity NPC265433
0.6733 Remote Similarity NPC230734
0.6733 Remote Similarity NPC227503
0.6733 Remote Similarity NPC302701
0.6733 Remote Similarity NPC16435
0.6733 Remote Similarity NPC474639
0.6733 Remote Similarity NPC306441
0.6728 Remote Similarity NPC38980
0.6716 Remote Similarity NPC247871
0.6713 Remote Similarity NPC5796
0.6713 Remote Similarity NPC236265
0.6713 Remote Similarity NPC206487
0.6713 Remote Similarity NPC25817
0.6711 Remote Similarity NPC256307
0.6711 Remote Similarity NPC106215
0.6711 Remote Similarity NPC66840
0.6708 Remote Similarity NPC474535
0.669 Remote Similarity NPC229213
0.669 Remote Similarity NPC41562
0.6689 Remote Similarity NPC65530
0.6689 Remote Similarity NPC326797
0.6689 Remote Similarity NPC107551
0.6689 Remote Similarity NPC253105
0.6689 Remote Similarity NPC35932
0.6689 Remote Similarity NPC59324
0.6689 Remote Similarity NPC7903
0.6689 Remote Similarity NPC160991
0.6689 Remote Similarity NPC102904
0.6689 Remote Similarity NPC276490
0.6689 Remote Similarity NPC211549
0.6689 Remote Similarity NPC474282
0.6689 Remote Similarity NPC176051
0.6689 Remote Similarity NPC184447
0.6689 Remote Similarity NPC470752
0.6689 Remote Similarity NPC16208
0.6689 Remote Similarity NPC201587
0.6689 Remote Similarity NPC161203
0.6689 Remote Similarity NPC103976
0.6667 Remote Similarity NPC203133
0.6667 Remote Similarity NPC473653
0.6667 Remote Similarity NPC208950
0.6667 Remote Similarity NPC17943
0.6667 Remote Similarity NPC82483
0.6667 Remote Similarity NPC472093
0.6667 Remote Similarity NPC234400
0.6667 Remote Similarity NPC251855
0.6667 Remote Similarity NPC114325
0.6667 Remote Similarity NPC474481

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC222684 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
0.7042 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.6993 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6803 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6803 Remote Similarity NPD1613 Approved
0.6667 Remote Similarity NPD9296 Approved
0.6615 Remote Similarity NPD291 Approved
0.6585 Remote Similarity NPD9094 Approved
0.6571 Remote Similarity NPD1548 Phase 1
0.6503 Remote Similarity NPD1610 Phase 2
0.65 Remote Similarity NPD1408 Clinical (unspecified phase)
0.6486 Remote Similarity NPD3027 Phase 3
0.6319 Remote Similarity NPD915 Approved
0.6309 Remote Similarity NPD3537 Clinical (unspecified phase)
0.6303 Remote Similarity NPD4288 Approved
0.6299 Remote Similarity NPD9365 Approved
0.6224 Remote Similarity NPD7533 Approved
0.6224 Remote Similarity NPD7534 Approved
0.62 Remote Similarity NPD4908 Phase 1
0.619 Remote Similarity NPD4749 Approved
0.6159 Remote Similarity NPD4625 Phase 3
0.6159 Remote Similarity NPD556 Approved
0.6148 Remote Similarity NPD9093 Approved
0.6144 Remote Similarity NPD1558 Phase 1
0.6118 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6098 Remote Similarity NPD9089 Approved
0.6087 Remote Similarity NPD1511 Approved
0.6084 Remote Similarity NPD1934 Approved
0.6081 Remote Similarity NPD2982 Phase 2
0.6081 Remote Similarity NPD2983 Phase 2
0.6071 Remote Similarity NPD228 Approved
0.6058 Remote Similarity NPD968 Approved
0.6054 Remote Similarity NPD1091 Approved
0.6054 Remote Similarity NPD422 Phase 1
0.6037 Remote Similarity NPD1653 Approved
0.6022 Remote Similarity NPD4287 Approved
0.6014 Remote Similarity NPD2981 Phase 2
0.6012 Remote Similarity NPD1512 Approved
0.5988 Remote Similarity NPD4010 Discontinued
0.5952 Remote Similarity NPD1465 Phase 2
0.5952 Remote Similarity NPD2801 Approved
0.5949 Remote Similarity NPD3454 Phase 3
0.5921 Remote Similarity NPD3018 Phase 2
0.5912 Remote Similarity NPD9244 Approved
0.5909 Remote Similarity NPD6410 Clinical (unspecified phase)
0.5899 Remote Similarity NPD290 Approved
0.5899 Remote Similarity NPD9552 Approved
0.5891 Remote Similarity NPD9295 Approved
0.5882 Remote Similarity NPD4868 Clinical (unspecified phase)
0.5867 Remote Similarity NPD4379 Clinical (unspecified phase)
0.5858 Remote Similarity NPD2393 Clinical (unspecified phase)
0.5833 Remote Similarity NPD9299 Approved
0.5818 Remote Similarity NPD2183 Approved
0.5818 Remote Similarity NPD2184 Approved
0.5813 Remote Similarity NPD1552 Clinical (unspecified phase)
0.5813 Remote Similarity NPD1550 Clinical (unspecified phase)
0.5809 Remote Similarity NPD1242 Phase 1
0.5797 Remote Similarity NPD9501 Approved
0.5789 Remote Similarity NPD3882 Suspended
0.5776 Remote Similarity NPD1549 Phase 2
0.5767 Remote Similarity NPD8095 Phase 1
0.5752 Remote Similarity NPD1469 Clinical (unspecified phase)
0.575 Remote Similarity NPD6100 Approved
0.575 Remote Similarity NPD6099 Approved
0.5739 Remote Similarity NPD6168 Clinical (unspecified phase)
0.5739 Remote Similarity NPD6166 Phase 2
0.5739 Remote Similarity NPD6167 Clinical (unspecified phase)
0.5724 Remote Similarity NPD3225 Approved
0.5714 Remote Similarity NPD2861 Phase 2
0.5705 Remote Similarity NPD6859 Clinical (unspecified phase)
0.568 Remote Similarity NPD4678 Approved
0.568 Remote Similarity NPD4675 Approved
0.5652 Remote Similarity NPD1551 Phase 2
0.5644 Remote Similarity NPD1652 Phase 2
0.5642 Remote Similarity NPD7054 Approved
0.564 Remote Similarity NPD2296 Approved
0.5638 Remote Similarity NPD1797 Approved
0.5638 Remote Similarity NPD1798 Approved
0.5634 Remote Similarity NPD2684 Approved
0.5632 Remote Similarity NPD6234 Discontinued
0.5611 Remote Similarity NPD7074 Phase 3
0.5611 Remote Similarity NPD7472 Approved
0.561 Remote Similarity NPD3750 Approved
0.5608 Remote Similarity NPD1102 Approved
0.5608 Remote Similarity NPD1103 Approved
0.5602 Remote Similarity NPD7212 Phase 2
0.5602 Remote Similarity NPD4357 Discontinued
0.5602 Remote Similarity NPD7213 Phase 3
0.56 Remote Similarity NPD5846 Approved
0.56 Remote Similarity NPD6516 Phase 2

Structure

External Identifiers

PubChem CID   10029508
ChEMBL   CHEMBL185828
ZINC  

Physicochemical Properties

Molecular Weight:  511.69
ALogP:  2.7867
MLogP:  2.01
XLogP:  4.549
# Rotatable Bonds:  5
Polar Surface Area:  38.69
# H-Bond Aceptor:  0
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  19

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs