Natural Product: NPC68350

Natural Product ID:  NPC68350
Common Name:   2,4-Dibromo-6-(2,3,4,5-Tetrabromo-6-Methoxyphenoxy)Phenol
IUPAC Name:   2,4-dibromo-6-(2,3,4,5-tetrabromo-6-methoxyphenoxy)phenol
Synonyms:  
Molecular Formula:   C13H6Br6O3
Standard InCHIKey:  TXONIAFKISXPIY-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H6Br6O3/c1-21-12-9(18)7(16)8(17)10(19)13(12)22-6-3-4(14)2-5(15)11(6)20/h2-3,20H,1H3
Canonical SMILES:  COc1c(Oc2cc(Br)cc(c2O)Br)c(Br)c(c(c1Br)Br)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
NPO8481 Phyllospongia dendyi Species Thorectidae Eukaryota Palau PMID[15043436]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 0 mm 18278869
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 0 mm DrugMatrix in vitro pharmacology data
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 0 mm 16472241
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 0 mm 12517097

  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 NPC68350 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 NPC131940
1.0 High Similarity NPC230013
1.0 High Similarity NPC81149
1.0 High Similarity NPC197576
0.9828 High Similarity NPC88733
0.9828 High Similarity NPC137922
0.9828 High Similarity NPC40302
0.9828 High Similarity NPC173511
0.9744 High Similarity NPC97157
0.9744 High Similarity NPC175520
0.9744 High Similarity NPC159866
0.9744 High Similarity NPC64130
0.9744 High Similarity NPC295879
0.9744 High Similarity NPC25134
0.9658 High Similarity NPC474375
0.9655 High Similarity NPC63317
0.9655 High Similarity NPC41232
0.9573 High Similarity NPC226737
0.9573 High Similarity NPC47769
0.9573 High Similarity NPC153580
0.9573 High Similarity NPC196371
0.9573 High Similarity NPC299939
0.9573 High Similarity NPC170824
0.9483 High Similarity NPC104124
0.9402 High Similarity NPC86007
0.9402 High Similarity NPC44270
0.9316 High Similarity NPC71186
0.9316 High Similarity NPC191194
0.9145 High Similarity NPC264379
0.912 High Similarity NPC178301
0.8974 High Similarity NPC221301
0.8898 High Similarity NPC162294
0.8889 High Similarity NPC206183
0.8889 High Similarity NPC222684
0.8651 High Similarity NPC45728
0.8492 Intermediate Similarity NPC1744
0.8492 Intermediate Similarity NPC163019
0.8254 Intermediate Similarity NPC235166
0.8034 Intermediate Similarity NPC319933
0.7914 Intermediate Similarity NPC8577
0.7586 Intermediate Similarity NPC475466
0.7571 Intermediate Similarity NPC271942
0.7479 Intermediate Similarity NPC314803
0.7388 Intermediate Similarity NPC236265
0.7365 Intermediate Similarity NPC152947
0.7357 Intermediate Similarity NPC245386
0.7353 Intermediate Similarity NPC13004
0.7288 Intermediate Similarity NPC114325
0.7214 Intermediate Similarity NPC303011
0.7194 Intermediate Similarity NPC226493
0.7194 Intermediate Similarity NPC160081
0.7172 Intermediate Similarity NPC286337
0.7122 Intermediate Similarity NPC85049
0.708 Intermediate Similarity NPC220311
0.7055 Intermediate Similarity NPC89341
0.7034 Intermediate Similarity NPC160932
0.7029 Intermediate Similarity NPC134219
0.6985 Remote Similarity NPC219444
0.6978 Remote Similarity NPC473708
0.6978 Remote Similarity NPC474147
0.6968 Remote Similarity NPC474535
0.6966 Remote Similarity NPC168680
0.6954 Remote Similarity NPC473608
0.6934 Remote Similarity NPC474169
0.6934 Remote Similarity NPC473572
0.6934 Remote Similarity NPC84606
0.6923 Remote Similarity NPC475697
0.6913 Remote Similarity NPC109346
0.6906 Remote Similarity NPC43706
0.6905 Remote Similarity NPC307875
0.6894 Remote Similarity NPC50782
0.6861 Remote Similarity NPC229213
0.6838 Remote Similarity NPC252149
0.6831 Remote Similarity NPC11449
0.6815 Remote Similarity NPC38483
0.6791 Remote Similarity NPC151617
0.6791 Remote Similarity NPC86947
0.6791 Remote Similarity NPC76915
0.6781 Remote Similarity NPC213471
0.678 Remote Similarity NPC206876
0.6774 Remote Similarity NPC135103
0.6763 Remote Similarity NPC137117
0.675 Remote Similarity NPC318429
0.6739 Remote Similarity NPC47790
0.6714 Remote Similarity NPC142776
0.6711 Remote Similarity NPC250597
0.6692 Remote Similarity NPC246358
0.6692 Remote Similarity NPC233731
0.6692 Remote Similarity NPC36108
0.6692 Remote Similarity NPC7097
0.6691 Remote Similarity NPC214289
0.669 Remote Similarity NPC163560
0.6667 Remote Similarity NPC124712
0.6667 Remote Similarity NPC319826
0.6667 Remote Similarity NPC127389
0.6667 Remote Similarity NPC290451
0.6667 Remote Similarity NPC293619
0.6667 Remote Similarity NPC9248
0.6667 Remote Similarity NPC38980
0.6667 Remote Similarity NPC145780
0.6667 Remote Similarity NPC184632
0.6643 Remote Similarity NPC74478
0.6622 Remote Similarity NPC156356
0.662 Remote Similarity NPC159987
0.662 Remote Similarity NPC78061
0.662 Remote Similarity NPC122359
0.6618 Remote Similarity NPC470626
0.6617 Remote Similarity NPC33244
0.6617 Remote Similarity NPC471488
0.6596 Remote Similarity NPC194519
0.6594 Remote Similarity NPC205213
0.6594 Remote Similarity NPC227976
0.6594 Remote Similarity NPC205850
0.6591 Remote Similarity NPC173746
0.6591 Remote Similarity NPC257124
0.6591 Remote Similarity NPC139617
0.6591 Remote Similarity NPC78918
0.6591 Remote Similarity NPC8547
0.6591 Remote Similarity NPC195873
0.6591 Remote Similarity NPC156840
0.6589 Remote Similarity NPC232654
0.6589 Remote Similarity NPC41594
0.6575 Remote Similarity NPC303993
0.6575 Remote Similarity NPC244890
0.6573 Remote Similarity NPC150929
0.6569 Remote Similarity NPC310338
0.6569 Remote Similarity NPC281298
0.6567 Remote Similarity NPC94217
0.6565 Remote Similarity NPC54543
0.6554 Remote Similarity NPC224663
0.6549 Remote Similarity NPC58607
0.6549 Remote Similarity NPC191037
0.6549 Remote Similarity NPC178284
0.6549 Remote Similarity NPC17837
0.6549 Remote Similarity NPC304630
0.6528 Remote Similarity NPC474536
0.6525 Remote Similarity NPC114901
0.6525 Remote Similarity NPC125306
0.6525 Remote Similarity NPC293701
0.6525 Remote Similarity NPC48990
0.6522 Remote Similarity NPC10932
0.6522 Remote Similarity NPC165133
0.6522 Remote Similarity NPC242885
0.6522 Remote Similarity NPC232084
0.6522 Remote Similarity NPC61516
0.6522 Remote Similarity NPC232316
0.6522 Remote Similarity NPC56214
0.6522 Remote Similarity NPC247364
0.6522 Remote Similarity NPC227217
0.6522 Remote Similarity NPC95614
0.6522 Remote Similarity NPC117780
0.6522 Remote Similarity NPC474146
0.6515 Remote Similarity NPC473358
0.6506 Remote Similarity NPC469979
0.6506 Remote Similarity NPC226001
0.6503 Remote Similarity NPC118787
0.6503 Remote Similarity NPC183181
0.6503 Remote Similarity NPC41706
0.6503 Remote Similarity NPC319625
0.6503 Remote Similarity NPC210355
0.6503 Remote Similarity NPC111247
0.6503 Remote Similarity NPC216836
0.6503 Remote Similarity NPC163332
0.6503 Remote Similarity NPC147821
0.6503 Remote Similarity NPC292056
0.65 Remote Similarity NPC126216
0.65 Remote Similarity NPC105147
0.65 Remote Similarity NPC228875
0.649 Remote Similarity NPC474850
0.649 Remote Similarity NPC474851
0.6479 Remote Similarity NPC87113
0.6475 Remote Similarity NPC109083
0.6475 Remote Similarity NPC207613
0.6475 Remote Similarity NPC60962
0.6475 Remote Similarity NPC269843
0.6475 Remote Similarity NPC189844
0.6475 Remote Similarity NPC14007
0.6475 Remote Similarity NPC224814
0.6471 Remote Similarity NPC79844
0.6467 Remote Similarity NPC126128
0.6467 Remote Similarity NPC473462
0.6467 Remote Similarity NPC298981
0.6467 Remote Similarity NPC207819
0.6467 Remote Similarity NPC110454
0.6466 Remote Similarity NPC55300
0.6458 Remote Similarity NPC226661
0.6454 Remote Similarity NPC317769
0.6454 Remote Similarity NPC31344
0.6454 Remote Similarity NPC192810
0.6454 Remote Similarity NPC105999
0.6452 Remote Similarity NPC178097
0.6449 Remote Similarity NPC117759
0.6446 Remote Similarity NPC157213
0.6429 Remote Similarity NPC54872
0.6429 Remote Similarity NPC470212
0.6429 Remote Similarity NPC262156
0.6429 Remote Similarity NPC343720
0.6429 Remote Similarity NPC184651
0.6429 Remote Similarity NPC113865
0.6429 Remote Similarity NPC324571

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC68350 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
0.7288 Intermediate Similarity NPD9296 Approved
0.7073 Intermediate Similarity NPD291 Approved
0.675 Remote Similarity NPD9365 Approved
0.6594 Remote Similarity NPD915 Approved
0.6591 Remote Similarity NPD228 Approved
0.6565 Remote Similarity NPD556 Approved
0.6462 Remote Similarity NPD968 Approved
0.6446 Remote Similarity NPD9295 Approved
0.6338 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6324 Remote Similarity NPD9299 Approved
0.6308 Remote Similarity NPD9244 Approved
0.6288 Remote Similarity NPD290 Approved
0.6205 Remote Similarity NPD4010 Discontinued
0.6183 Remote Similarity NPD9501 Approved
0.6174 Remote Similarity NPD1558 Phase 1
0.6165 Remote Similarity NPD9552 Approved
0.6164 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6122 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6119 Remote Similarity NPD2684 Approved
0.6099 Remote Similarity NPD1797 Approved
0.6099 Remote Similarity NPD1798 Approved
0.6081 Remote Similarity NPD3027 Phase 3
0.6067 Remote Similarity NPD1613 Approved
0.6067 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6014 Remote Similarity NPD5283 Phase 1
0.5968 Remote Similarity NPD9094 Approved
0.5957 Remote Similarity NPD1103 Approved
0.5957 Remote Similarity NPD1408 Clinical (unspecified phase)
0.5957 Remote Similarity NPD1102 Approved
0.5942 Remote Similarity NPD7843 Approved
0.5939 Remote Similarity NPD2296 Approved
0.5915 Remote Similarity NPD1548 Phase 1
0.5874 Remote Similarity NPD1357 Approved
0.5855 Remote Similarity NPD3619 Clinical (unspecified phase)
0.5855 Remote Similarity NPD3620 Phase 2
0.5845 Remote Similarity NPD5536 Phase 2
0.5839 Remote Similarity NPD9494 Approved
0.5833 Remote Similarity NPD5846 Approved
0.5833 Remote Similarity NPD6516 Phase 2
0.5816 Remote Similarity NPD7157 Approved
0.5816 Remote Similarity NPD6671 Approved
0.5811 Remote Similarity NPD3827 Clinical (unspecified phase)
0.5804 Remote Similarity NPD7533 Approved
0.5804 Remote Similarity NPD7534 Approved
0.5782 Remote Similarity NPD6582 Phase 2
0.5782 Remote Similarity NPD6583 Phase 3
0.5753 Remote Similarity NPD1091 Approved
0.5753 Remote Similarity NPD1610 Phase 2
0.5752 Remote Similarity NPD4060 Phase 1
0.5733 Remote Similarity NPD2250 Discontinued
0.5726 Remote Similarity NPD9087 Approved
0.5725 Remote Similarity NPD3021 Approved
0.5725 Remote Similarity NPD3022 Approved
0.5724 Remote Similarity NPD3145 Approved
0.5724 Remote Similarity NPD3144 Approved
0.5714 Remote Similarity NPD821 Approved
0.5704 Remote Similarity NPD191 Approved
0.5695 Remote Similarity NPD5752 Clinical (unspecified phase)
0.5695 Remote Similarity NPD3537 Clinical (unspecified phase)
0.5686 Remote Similarity NPD2674 Phase 3
0.5685 Remote Similarity NPD155 Clinical (unspecified phase)
0.5676 Remote Similarity NPD2982 Phase 2
0.5676 Remote Similarity NPD2983 Phase 2
0.5667 Remote Similarity NPD6584 Phase 3
0.5667 Remote Similarity NPD9088 Approved
0.5655 Remote Similarity NPD4288 Approved
0.5646 Remote Similarity NPD1535 Discovery
0.5629 Remote Similarity NPD5266 Clinical (unspecified phase)
0.5621 Remote Similarity NPD6798 Discontinued
0.5608 Remote Similarity NPD1481 Phase 2
0.5608 Remote Similarity NPD2981 Phase 2
0.5603 Remote Similarity NPD769 Approved
0.5603 Remote Similarity NPD5535 Approved
0.56 Remote Similarity NPD1318 Phase 2

Structure

External Identifiers

PubChem CID   11342932
ChEMBL   CHEMBL219958
ZINC  

Physicochemical Properties

Molecular Weight:  683.54
ALogP:  4.6666
MLogP:  1.9
XLogP:  5.881
# Rotatable Bonds:  11
Polar Surface Area:  38.69
# H-Bond Aceptor:  0
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  22

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs