Natural Product: NPC137922

Natural Product ID:  NPC137922
Common Name:   2,3,4,5-Tetrabromo-6-(3,5-Dibromo-2-Hydroxyphenoxy)Phenol
IUPAC Name:   2,3,4,5-tetrabromo-6-(3,5-dibromo-2-hydroxyphenoxy)phenol
Synonyms:  
Molecular Formula:   C12H4Br6O3
Standard InCHIKey:  OMYZFHYKAPRFFQ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H4Br6O3/c13-3-1-4(14)10(19)5(2-3)21-12-9(18)7(16)6(15)8(17)11(12)20/h1-2,19-20H
Canonical SMILES:  Brc1cc(Oc2c(O)c(Br)c(c(c2Br)Br)Br)c(c(c1)Br)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
NPO8481 Phyllospongia dendyi Species Thorectidae Eukaryota Palau PMID[15043436]
NPO1793 Uvaria mocoli Species Annonaceae Eukaryota UNPD*
NPO32617 dysidea sp. Species Dysideidae Eukaryota Indo-Pacific PMID[7494145]
NPO4863 Dioscorea futschauensis Species Dioscoreaceae Eukaryota UNPD*
NPO8225 Salvia karabachensis Species Lamiaceae Eukaryota UNPD*
NPO5472 Spongia foliascens Species Spongiidae Eukaryota UNPD*
NPO16684 Alibertia macrophylla Species Rubiaceae Eukaryota UNPD*
NPO17210 Dorstenia barnimiana Species Moraceae Eukaryota UNPD*
NPO2431 Penicilliopsis zonata Species Aspergillaceae Eukaryota UNPD*
NPO7116 Monachosorum henryi Species Dennstaedtiaceae Eukaryota UNPD*
NPO17991 Sedum forsterianum Species Crassulaceae Eukaryota UNPD*
NPO22505 Bombax ceiba Species Malvaceae Eukaryota UNPD*
NPO7857 Verbascum georgicum Species Scrophulariaceae Eukaryota UNPD*
NPO16323 Umbilicaria proboscidea Species Umbilicariaceae Eukaryota UNPD*
NPO2453 Stachybotrys chartarum Species Stachybotryaceae Eukaryota UNPD*
NPO12708 Rothia indica Species Fabaceae Eukaryota UNPD*
NPO16204 Zieria chevalieri Species Rutaceae Eukaryota UNPD*
NPO3308 Calycadenia fremontii Species Asteraceae Eukaryota UNPD*
NPO17673 Dysidea herbacea Species Dysideidae Eukaryota UNPD*
NPO13038 Fomes hartigii Species Coriolaceae Eukaryota UNPD*
NPO12364 Polyides rotundus Species Polyideaceae Eukaryota UNPD*
NPO12931 Carex pumila Species Cyperaceae Eukaryota UNPD*
NPO13746 Achillea leptophylla Species Asteraceae Eukaryota UNPD*
NPO5958 Senegalia modesta Species Fabaceae Eukaryota UNPD*
NPO8857 Hydnum repandum Species Hydnaceae Eukaryota UNPD*
NPO13985 Oxybasis urbica Species Chenopodiaceae Eukaryota UNPD*
NPO9147 Frasera albomarginata Species Gentianaceae Eukaryota UNPD*
NPO9355 Polygonatum orientale Species Asparagaceae Eukaryota UNPD*
NPO10944 Mantella baroni Species Mantellidae Eukaryota UNPD*
NPO12586 Tapirira guianensis Species Anacardiaceae Eukaryota UNPD*
NPO11328 Juniperus chinensis Species Cupressaceae Eukaryota UNPD*
NPO6781 Senecio acanthifolius Species Asteraceae Eukaryota UNPD*
NPO9977 Polygonum sieboldi Species Polygonaceae Eukaryota UNPD*
NPO9044 Rubia ustulata Species Rubiaceae Eukaryota UNPD*
NPO13321 Viguiera cordifolia Species Asteraceae Eukaryota UNPD*
NPO8395.1 Crepis foetida subsp. rhoeadifolia Subspecies Asteraceae Eukaryota UNPD*
NPO4485 Lamellodysidea herbacea Species Dysideidae Eukaryota Indonesia PMID[17311456]
NPO28504 Calothrix brevissima Species Rivulariaceae Bacteria UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT41 Individual Protein Aldose reductase Homo sapiens IC50 = 6400 nM 14613323
NPT2 Others Unspecified IC50 = 3000 nM 14613323
NPT1119 Individual Protein Arachidonate 12-lipoxygenase Homo sapiens IC50 = 410 nM 15267244
NPT792 Individual Protein Arachidonate 15-lipoxygenase Homo sapiens IC50 = 790 nM 15267244
NPT2 Others Unspecified IC50 > 100000 nM 15267244
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 6 mm 17311456
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 7 mm 17311456
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 12 mm 17311456
NPT2 Others Unspecified IC50 = 29600 nM 15043436
NPT2 Others Unspecified IC50 = 3600 nM 15043436
NPT792 Individual Protein Arachidonate 15-lipoxygenase Homo sapiens IC50 = 1300 nM 7494145
NPT2 Others Unspecified EC50 = 2.79 % 7494145
NPT2784 Individual Protein GMP synthase [glutamine-hydrolyzing] Homo sapiens Inhibition = 96 % 7494145
NPT57 Individual Protein Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens IC50 > 10 ug/ml 19323567

  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 NPC137922 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 NPC40302
0.9913 High Similarity NPC175520
0.9913 High Similarity NPC295879
0.9913 High Similarity NPC25134
0.9913 High Similarity NPC97157
0.9913 High Similarity NPC159866
0.9913 High Similarity NPC64130
0.9828 High Similarity NPC197576
0.9828 High Similarity NPC68350
0.9828 High Similarity NPC81149
0.9828 High Similarity NPC230013
0.9828 High Similarity NPC131940
0.9826 High Similarity NPC474375
0.9825 High Similarity NPC41232
0.9825 High Similarity NPC63317
0.9739 High Similarity NPC196371
0.9739 High Similarity NPC153580
0.9739 High Similarity NPC299939
0.9739 High Similarity NPC47769
0.9739 High Similarity NPC226737
0.9655 High Similarity NPC88733
0.9655 High Similarity NPC173511
0.9649 High Similarity NPC104124
0.9565 High Similarity NPC44270
0.9565 High Similarity NPC86007
0.9478 High Similarity NPC191194
0.9402 High Similarity NPC170824
0.9145 High Similarity NPC71186
0.9032 High Similarity NPC222684
0.9032 High Similarity NPC206183
0.8974 High Similarity NPC264379
0.896 High Similarity NPC178301
0.8803 High Similarity NPC221301
0.879 High Similarity NPC45728
0.8729 High Similarity NPC162294
0.8333 Intermediate Similarity NPC163019
0.8333 Intermediate Similarity NPC1744
0.8174 Intermediate Similarity NPC319933
0.8095 Intermediate Similarity NPC235166
0.8029 Intermediate Similarity NPC8577
0.7719 Intermediate Similarity NPC475466
0.7554 Intermediate Similarity NPC271942
0.7463 Intermediate Similarity NPC13004
0.7458 Intermediate Similarity NPC314803
0.7368 Intermediate Similarity NPC236265
0.7347 Intermediate Similarity NPC152947
0.7338 Intermediate Similarity NPC245386
0.7273 Intermediate Similarity NPC286337
0.7194 Intermediate Similarity NPC303011
0.7185 Intermediate Similarity NPC220311
0.7119 Intermediate Similarity NPC114325
0.709 Intermediate Similarity NPC219444
0.705 Intermediate Similarity NPC160081
0.705 Intermediate Similarity NPC226493
0.7037 Intermediate Similarity NPC84606
0.6978 Remote Similarity NPC85049
0.6957 Remote Similarity NPC252149
0.6918 Remote Similarity NPC89341
0.6917 Remote Similarity NPC38483
0.6897 Remote Similarity NPC160932
0.6894 Remote Similarity NPC151617
0.6894 Remote Similarity NPC86947
0.6894 Remote Similarity NPC76915
0.6884 Remote Similarity NPC134219
0.687 Remote Similarity NPC50782
0.6839 Remote Similarity NPC474535
0.6835 Remote Similarity NPC474147
0.6835 Remote Similarity NPC473708
0.6828 Remote Similarity NPC168680
0.6821 Remote Similarity NPC473608
0.6795 Remote Similarity NPC475697
0.6791 Remote Similarity NPC214289
0.6788 Remote Similarity NPC474169
0.6788 Remote Similarity NPC473572
0.6783 Remote Similarity NPC319826
0.6779 Remote Similarity NPC109346
0.6763 Remote Similarity NPC43706
0.6746 Remote Similarity NPC307875
0.6739 Remote Similarity NPC137117
0.6723 Remote Similarity NPC318429
0.6718 Remote Similarity NPC33244
0.6718 Remote Similarity NPC471488
0.6715 Remote Similarity NPC47790
0.6715 Remote Similarity NPC229213
0.6691 Remote Similarity NPC205213
0.6691 Remote Similarity NPC142776
0.6691 Remote Similarity NPC205850
0.669 Remote Similarity NPC11449
0.6667 Remote Similarity NPC244890
0.6667 Remote Similarity NPC54543
0.6667 Remote Similarity NPC94217
0.6667 Remote Similarity NPC163560
0.6645 Remote Similarity NPC135103
0.6644 Remote Similarity NPC213471
0.6642 Remote Similarity NPC145780
0.6642 Remote Similarity NPC290451
0.6642 Remote Similarity NPC9248
0.6642 Remote Similarity NPC127389
0.6638 Remote Similarity NPC125306
0.6615 Remote Similarity NPC473358
0.661 Remote Similarity NPC206876
0.6599 Remote Similarity NPC156356
0.6594 Remote Similarity NPC228875
0.6594 Remote Similarity NPC126216
0.6594 Remote Similarity NPC105147
0.6585 Remote Similarity NPC226001
0.6585 Remote Similarity NPC469979
0.6577 Remote Similarity NPC250597
0.6569 Remote Similarity NPC227976
0.6549 Remote Similarity NPC150929
0.6547 Remote Similarity NPC105999
0.6545 Remote Similarity NPC298981
0.6545 Remote Similarity NPC473462
0.6545 Remote Similarity NPC126128
0.6545 Remote Similarity NPC207819
0.6545 Remote Similarity NPC110454
0.6541 Remote Similarity NPC38980
0.6538 Remote Similarity NPC7097
0.6538 Remote Similarity NPC246358
0.6538 Remote Similarity NPC233731
0.6538 Remote Similarity NPC36108
0.6533 Remote Similarity NPC184632
0.6531 Remote Similarity NPC224663
0.6519 Remote Similarity NPC293619
0.6512 Remote Similarity NPC124712
0.6503 Remote Similarity NPC474536
0.6503 Remote Similarity NPC105702
0.65 Remote Similarity NPC228972
0.65 Remote Similarity NPC122792
0.65 Remote Similarity NPC74478
0.65 Remote Similarity NPC213414
0.6496 Remote Similarity NPC474146
0.6479 Remote Similarity NPC78061
0.6479 Remote Similarity NPC159987
0.6479 Remote Similarity NPC122359
0.6471 Remote Similarity NPC470626
0.6467 Remote Similarity NPC118794
0.6467 Remote Similarity NPC474850
0.6467 Remote Similarity NPC474851
0.6462 Remote Similarity NPC471495
0.6454 Remote Similarity NPC194519
0.6454 Remote Similarity NPC3221
0.6454 Remote Similarity NPC87113
0.6449 Remote Similarity NPC307253
0.6444 Remote Similarity NPC79844
0.6439 Remote Similarity NPC139617
0.6439 Remote Similarity NPC156840
0.6439 Remote Similarity NPC78918
0.6439 Remote Similarity NPC173746
0.6439 Remote Similarity NPC257124
0.6439 Remote Similarity NPC195873
0.6439 Remote Similarity NPC8547
0.6438 Remote Similarity NPC303993
0.6438 Remote Similarity NPC471328
0.6435 Remote Similarity NPC204932
0.6434 Remote Similarity NPC41594
0.6434 Remote Similarity NPC232654
0.6429 Remote Similarity NPC214188
0.6429 Remote Similarity NPC74618
0.6429 Remote Similarity NPC301941
0.6424 Remote Similarity NPC225130
0.6423 Remote Similarity NPC117759
0.6423 Remote Similarity NPC281298
0.6423 Remote Similarity NPC310338
0.6408 Remote Similarity NPC58607
0.6408 Remote Similarity NPC181361
0.6408 Remote Similarity NPC134431
0.6408 Remote Similarity NPC156854
0.6408 Remote Similarity NPC191037
0.6408 Remote Similarity NPC178284
0.6408 Remote Similarity NPC304630
0.6408 Remote Similarity NPC110677
0.6408 Remote Similarity NPC17837
0.6389 Remote Similarity NPC474614
0.6383 Remote Similarity NPC48990
0.6383 Remote Similarity NPC114901
0.6383 Remote Similarity NPC293701
0.6377 Remote Similarity NPC61516
0.6377 Remote Similarity NPC227217
0.6377 Remote Similarity NPC247364
0.6377 Remote Similarity NPC117780
0.6377 Remote Similarity NPC232316
0.6377 Remote Similarity NPC95614
0.6377 Remote Similarity NPC56214
0.6377 Remote Similarity NPC10932
0.6377 Remote Similarity NPC165133
0.6377 Remote Similarity NPC242885
0.6377 Remote Similarity NPC232084
0.6364 Remote Similarity NPC216836
0.6364 Remote Similarity NPC319625
0.6364 Remote Similarity NPC111247
0.6364 Remote Similarity NPC50368
0.6364 Remote Similarity NPC147821
0.6364 Remote Similarity NPC163332
0.6364 Remote Similarity NPC292056
0.6364 Remote Similarity NPC41706
0.6364 Remote Similarity NPC183181
0.6364 Remote Similarity NPC210355
0.6364 Remote Similarity NPC470699
0.6364 Remote Similarity NPC471487

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC137922 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
0.7119 Intermediate Similarity NPD9296 Approved
0.6911 Remote Similarity NPD291 Approved
0.6723 Remote Similarity NPD9365 Approved
0.6691 Remote Similarity NPD915 Approved
0.6439 Remote Similarity NPD228 Approved
0.6434 Remote Similarity NPD968 Approved
0.6412 Remote Similarity NPD556 Approved
0.6281 Remote Similarity NPD9295 Approved
0.6279 Remote Similarity NPD9244 Approved
0.625 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6207 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6197 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6176 Remote Similarity NPD9299 Approved
0.6154 Remote Similarity NPD9501 Approved
0.6149 Remote Similarity NPD1558 Phase 1
0.6136 Remote Similarity NPD290 Approved
0.6136 Remote Similarity NPD9552 Approved
0.6084 Remote Similarity NPD4010 Discontinued
0.6066 Remote Similarity NPD9094 Approved
0.604 Remote Similarity NPD1613 Approved
0.604 Remote Similarity NPD1612 Clinical (unspecified phase)
0.597 Remote Similarity NPD2684 Approved
0.5957 Remote Similarity NPD1797 Approved
0.5957 Remote Similarity NPD1798 Approved
0.5946 Remote Similarity NPD3027 Phase 3
0.5915 Remote Similarity NPD2296 Approved
0.5887 Remote Similarity NPD1548 Phase 1
0.587 Remote Similarity NPD5283 Phase 1
0.5826 Remote Similarity NPD9087 Approved
0.5816 Remote Similarity NPD1408 Clinical (unspecified phase)
0.5816 Remote Similarity NPD1103 Approved
0.5816 Remote Similarity NPD1102 Approved
0.5804 Remote Similarity NPD6516 Phase 2
0.5804 Remote Similarity NPD5846 Approved
0.5797 Remote Similarity NPD7843 Approved
0.5786 Remote Similarity NPD6671 Approved
0.5763 Remote Similarity NPD9088 Approved
0.5734 Remote Similarity NPD1357 Approved
0.5724 Remote Similarity NPD3619 Clinical (unspecified phase)
0.5724 Remote Similarity NPD1610 Phase 2
0.5724 Remote Similarity NPD1091 Approved
0.5724 Remote Similarity NPD3620 Phase 2
0.5724 Remote Similarity NPD1535 Discovery
0.5723 Remote Similarity NPD4288 Approved
0.5705 Remote Similarity NPD9494 Approved
0.5704 Remote Similarity NPD5536 Phase 2
0.5693 Remote Similarity NPD3021 Approved
0.5693 Remote Similarity NPD3022 Approved
0.5685 Remote Similarity NPD1481 Phase 2
0.5676 Remote Similarity NPD3827 Clinical (unspecified phase)
0.5676 Remote Similarity NPD1318 Phase 2
0.5674 Remote Similarity NPD7157 Approved
0.5674 Remote Similarity NPD191 Approved
0.5664 Remote Similarity NPD7533 Approved
0.5664 Remote Similarity NPD7534 Approved
0.5655 Remote Similarity NPD155 Clinical (unspecified phase)
0.5646 Remote Similarity NPD6582 Phase 2
0.5646 Remote Similarity NPD6583 Phase 3
0.563 Remote Similarity NPD9697 Approved
0.5621 Remote Similarity NPD4060 Phase 1
0.562 Remote Similarity NPD9093 Approved
0.56 Remote Similarity NPD2250 Discontinued

Structure

External Identifiers

PubChem CID   339231
ChEMBL   CHEMBL150098
ZINC  

Physicochemical Properties

Molecular Weight:  669.53
ALogP:  4.2581
MLogP:  1.79
XLogP:  5.362
# Rotatable Bonds:  10
Polar Surface Area:  49.69
# H-Bond Aceptor:  0
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  21

Download Data

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Biological Activities  
Similar NPs/Drugs