Natural Product: NPC104124

Natural Product ID:  NPC104124
Common Name:   3,5-Dibromo-2-(3,5-Dibromo-2-Hydroxyphenoxy)Phenol
IUPAC Name:   3,5-dibromo-2-(3,5-dibromo-2-hydroxyphenoxy)phenol
Synonyms:  
Molecular Formula:   C12H6Br4O3
Standard InCHIKey:  FJIJWARHPUGHGQ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H6Br4O3/c13-5-2-8(16)12(9(17)3-5)19-10-4-6(14)1-7(15)11(10)18/h1-4,17-18H
Canonical SMILES:  Brc1cc(O)c(c(c1)Br)Oc1cc(Br)cc(c1O)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
NPO7857 Verbascum georgicum Species Scrophulariaceae Eukaryota UNPD*
NPO1793 Uvaria mocoli Species Annonaceae Eukaryota UNPD*
NPO17991 Sedum forsterianum Species Crassulaceae Eukaryota UNPD*
NPO4863 Dioscorea futschauensis Species Dioscoreaceae Eukaryota UNPD*
NPO13985 Oxybasis urbica Species Chenopodiaceae Eukaryota UNPD*
NPO16204 Zieria chevalieri Species Rutaceae Eukaryota UNPD*
NPO13321 Viguiera cordifolia Species Asteraceae Eukaryota UNPD*
NPO9044 Rubia ustulata Species Rubiaceae Eukaryota UNPD*
NPO17210 Dorstenia barnimiana Species Moraceae Eukaryota UNPD*
NPO16323 Umbilicaria proboscidea Species Umbilicariaceae Eukaryota UNPD*
NPO13746 Achillea leptophylla Species Asteraceae Eukaryota UNPD*
NPO16684 Alibertia macrophylla Species Rubiaceae Eukaryota UNPD*
NPO17673 Dysidea herbacea Species Dysideidae Eukaryota UNPD*

  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 17311456
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 16 mm 17311456
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 18 mm 17311456

  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 NPC104124 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
0.991 High Similarity NPC44270
0.991 High Similarity NPC86007
0.9821 High Similarity NPC41232
0.9821 High Similarity NPC63317
0.9735 High Similarity NPC47769
0.9735 High Similarity NPC196371
0.9735 High Similarity NPC170824
0.9735 High Similarity NPC299939
0.9735 High Similarity NPC153580
0.9735 High Similarity NPC226737
0.9649 High Similarity NPC137922
0.9649 High Similarity NPC173511
0.9649 High Similarity NPC88733
0.9649 High Similarity NPC40302
0.9565 High Similarity NPC64130
0.9565 High Similarity NPC175520
0.9565 High Similarity NPC97157
0.9565 High Similarity NPC159866
0.9565 High Similarity NPC25134
0.9565 High Similarity NPC295879
0.9483 High Similarity NPC197576
0.9483 High Similarity NPC81149
0.9483 High Similarity NPC68350
0.9483 High Similarity NPC230013
0.9483 High Similarity NPC131940
0.9478 High Similarity NPC474375
0.9469 High Similarity NPC191194
0.9115 High Similarity NPC221301
0.9083 High Similarity NPC45728
0.9035 High Similarity NPC162294
0.9016 High Similarity NPC206183
0.9016 High Similarity NPC222684
0.8957 High Similarity NPC264379
0.8943 High Similarity NPC178301
0.8803 High Similarity NPC71186
0.8468 Intermediate Similarity NPC319933
0.8361 Intermediate Similarity NPC235166
0.8306 Intermediate Similarity NPC163019
0.8306 Intermediate Similarity NPC1744
0.8271 Intermediate Similarity NPC8577
0.7719 Intermediate Similarity NPC314803
0.7482 Intermediate Similarity NPC286337
0.7368 Intermediate Similarity NPC114325
0.7368 Intermediate Similarity NPC475466
0.731 Intermediate Similarity NPC152947
0.7299 Intermediate Similarity NPC245386
0.7266 Intermediate Similarity NPC271942
0.7207 Intermediate Similarity NPC252149
0.7164 Intermediate Similarity NPC13004
0.7143 Intermediate Similarity NPC220311
0.7132 Intermediate Similarity NPC38483
0.7109 Intermediate Similarity NPC86947
0.7109 Intermediate Similarity NPC76915
0.7109 Intermediate Similarity NPC151617
0.7068 Intermediate Similarity NPC236265
0.7027 Intermediate Similarity NPC319826
0.7007 Intermediate Similarity NPC160081
0.7007 Intermediate Similarity NPC226493
0.7 Intermediate Similarity NPC214289
0.6992 Remote Similarity NPC473572
0.6992 Remote Similarity NPC474169
0.6967 Remote Similarity NPC307875
0.6957 Remote Similarity NPC318429
0.6934 Remote Similarity NPC85049
0.6929 Remote Similarity NPC33244
0.6929 Remote Similarity NPC471488
0.6917 Remote Similarity NPC229213
0.6906 Remote Similarity NPC303011
0.6894 Remote Similarity NPC205850
0.6894 Remote Similarity NPC205213
0.6884 Remote Similarity NPC11449
0.688 Remote Similarity NPC54543
0.6875 Remote Similarity NPC125306
0.6875 Remote Similarity NPC94217
0.6875 Remote Similarity NPC89341
0.6853 Remote Similarity NPC160932
0.6846 Remote Similarity NPC9248
0.6842 Remote Similarity NPC127389
0.6842 Remote Similarity NPC206876
0.6842 Remote Similarity NPC290451
0.6842 Remote Similarity NPC145780
0.6831 Remote Similarity NPC213471
0.6825 Remote Similarity NPC473358
0.6797 Remote Similarity NPC474535
0.6791 Remote Similarity NPC228875
0.6791 Remote Similarity NPC126216
0.6791 Remote Similarity NPC105147
0.6791 Remote Similarity NPC219444
0.6788 Remote Similarity NPC474147
0.6788 Remote Similarity NPC473708
0.6783 Remote Similarity NPC156356
0.6779 Remote Similarity NPC473608
0.6759 Remote Similarity NPC250597
0.6753 Remote Similarity NPC475697
0.675 Remote Similarity NPC226001
0.675 Remote Similarity NPC469979
0.6746 Remote Similarity NPC233731
0.6746 Remote Similarity NPC7097
0.6746 Remote Similarity NPC246358
0.6746 Remote Similarity NPC36108
0.6741 Remote Similarity NPC84606
0.6741 Remote Similarity NPC105999
0.6735 Remote Similarity NPC109346
0.672 Remote Similarity NPC124712
0.6718 Remote Similarity NPC293619
0.6715 Remote Similarity NPC43706
0.6712 Remote Similarity NPC184632
0.671 Remote Similarity NPC38980
0.6708 Remote Similarity NPC126128
0.6708 Remote Similarity NPC298981
0.6708 Remote Similarity NPC207819
0.6708 Remote Similarity NPC473462
0.6708 Remote Similarity NPC110454
0.6691 Remote Similarity NPC213414
0.6691 Remote Similarity NPC228972
0.6691 Remote Similarity NPC122792
0.6691 Remote Similarity NPC74478
0.6691 Remote Similarity NPC137117
0.6667 Remote Similarity NPC471495
0.6667 Remote Similarity NPC122359
0.6667 Remote Similarity NPC78061
0.6667 Remote Similarity NPC470626
0.6667 Remote Similarity NPC159987
0.6667 Remote Similarity NPC204932
0.6667 Remote Similarity NPC47790
0.6644 Remote Similarity NPC474850
0.6644 Remote Similarity NPC474851
0.6642 Remote Similarity NPC307253
0.6642 Remote Similarity NPC87113
0.6642 Remote Similarity NPC142776
0.6642 Remote Similarity NPC194519
0.6642 Remote Similarity NPC3221
0.6641 Remote Similarity NPC195873
0.6641 Remote Similarity NPC173746
0.6641 Remote Similarity NPC79844
0.6641 Remote Similarity NPC78918
0.6641 Remote Similarity NPC257124
0.6641 Remote Similarity NPC156840
0.6641 Remote Similarity NPC8547
0.6641 Remote Similarity NPC139617
0.664 Remote Similarity NPC232654
0.664 Remote Similarity NPC41594
0.662 Remote Similarity NPC303993
0.662 Remote Similarity NPC163560
0.662 Remote Similarity NPC471328
0.662 Remote Similarity NPC244890
0.6617 Remote Similarity NPC117759
0.6617 Remote Similarity NPC310338
0.6617 Remote Similarity NPC281298
0.6594 Remote Similarity NPC134219
0.6594 Remote Similarity NPC178284
0.6594 Remote Similarity NPC134431
0.6594 Remote Similarity NPC17837
0.6594 Remote Similarity NPC181361
0.6594 Remote Similarity NPC304630
0.6594 Remote Similarity NPC58607
0.6594 Remote Similarity NPC110677
0.6594 Remote Similarity NPC156854
0.6594 Remote Similarity NPC191037
0.6585 Remote Similarity NPC301941
0.6585 Remote Similarity NPC214188
0.6585 Remote Similarity NPC74618
0.6584 Remote Similarity NPC225130
0.6571 Remote Similarity NPC474614
0.6569 Remote Similarity NPC48990
0.6569 Remote Similarity NPC114901
0.6569 Remote Similarity NPC293701
0.6567 Remote Similarity NPC117780
0.6567 Remote Similarity NPC61516
0.6567 Remote Similarity NPC247364
0.6567 Remote Similarity NPC232316
0.6567 Remote Similarity NPC56214
0.6567 Remote Similarity NPC232084
0.6567 Remote Similarity NPC95614
0.6567 Remote Similarity NPC10932
0.6567 Remote Similarity NPC165133
0.6567 Remote Similarity NPC242885
0.6567 Remote Similarity NPC227217
0.6565 Remote Similarity NPC50782
0.6562 Remote Similarity NPC471487
0.6557 Remote Similarity NPC307039
0.6557 Remote Similarity NPC132725
0.6552 Remote Similarity NPC168680
0.6547 Remote Similarity NPC319625
0.6547 Remote Similarity NPC118787
0.6547 Remote Similarity NPC183181
0.6547 Remote Similarity NPC111247
0.6547 Remote Similarity NPC50368
0.6547 Remote Similarity NPC147821
0.6547 Remote Similarity NPC41706
0.6547 Remote Similarity NPC292056
0.6547 Remote Similarity NPC210355
0.6547 Remote Similarity NPC470699
0.6547 Remote Similarity NPC216836
0.6547 Remote Similarity NPC163332
0.6544 Remote Similarity NPC296202
0.6519 Remote Similarity NPC14007
0.6519 Remote Similarity NPC189844
0.6519 Remote Similarity NPC471486
0.6519 Remote Similarity NPC207613

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC104124 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
0.7368 Intermediate Similarity NPD9296 Approved
0.7143 Intermediate Similarity NPD291 Approved
0.6957 Remote Similarity NPD9365 Approved
0.6894 Remote Similarity NPD915 Approved
0.6641 Remote Similarity NPD228 Approved
0.664 Remote Similarity NPD968 Approved
0.6614 Remote Similarity NPD556 Approved
0.6496 Remote Similarity NPD9295 Approved
0.648 Remote Similarity NPD9244 Approved
0.6429 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6383 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6377 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6364 Remote Similarity NPD9299 Approved
0.6349 Remote Similarity NPD9501 Approved
0.6328 Remote Similarity NPD9552 Approved
0.6328 Remote Similarity NPD290 Approved
0.6319 Remote Similarity NPD1558 Phase 1
0.6271 Remote Similarity NPD9094 Approved
0.6235 Remote Similarity NPD4010 Discontinued
0.6207 Remote Similarity NPD1613 Approved
0.6207 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6154 Remote Similarity NPD2684 Approved
0.6131 Remote Similarity NPD1797 Approved
0.6131 Remote Similarity NPD1798 Approved
0.6111 Remote Similarity NPD3027 Phase 3
0.6062 Remote Similarity NPD2296 Approved
0.6058 Remote Similarity NPD1548 Phase 1
0.6045 Remote Similarity NPD5283 Phase 1
0.6036 Remote Similarity NPD9087 Approved
0.5985 Remote Similarity NPD1102 Approved
0.5985 Remote Similarity NPD1408 Clinical (unspecified phase)
0.5985 Remote Similarity NPD1103 Approved
0.5971 Remote Similarity NPD5846 Approved
0.5971 Remote Similarity NPD6516 Phase 2
0.597 Remote Similarity NPD7843 Approved
0.5965 Remote Similarity NPD9088 Approved
0.5956 Remote Similarity NPD6671 Approved
0.5899 Remote Similarity NPD1357 Approved
0.5887 Remote Similarity NPD1610 Phase 2
0.5887 Remote Similarity NPD1535 Discovery
0.5887 Remote Similarity NPD1091 Approved
0.5878 Remote Similarity NPD3619 Clinical (unspecified phase)
0.5878 Remote Similarity NPD3620 Phase 2
0.587 Remote Similarity NPD5536 Phase 2
0.5865 Remote Similarity NPD3022 Approved
0.5865 Remote Similarity NPD3021 Approved
0.5864 Remote Similarity NPD4288 Approved
0.5862 Remote Similarity NPD9494 Approved
0.5845 Remote Similarity NPD1481 Phase 2
0.5839 Remote Similarity NPD7157 Approved
0.5839 Remote Similarity NPD191 Approved
0.5833 Remote Similarity NPD3827 Clinical (unspecified phase)
0.5833 Remote Similarity NPD1318 Phase 2
0.5827 Remote Similarity NPD7534 Approved
0.5827 Remote Similarity NPD7533 Approved
0.5816 Remote Similarity NPD155 Clinical (unspecified phase)
0.5812 Remote Similarity NPD9093 Approved
0.5804 Remote Similarity NPD6582 Phase 2
0.5804 Remote Similarity NPD6583 Phase 3
0.5802 Remote Similarity NPD9697 Approved
0.5772 Remote Similarity NPD4060 Phase 1
0.5763 Remote Similarity NPD9089 Approved
0.5753 Remote Similarity NPD2250 Discontinued
0.5743 Remote Similarity NPD3144 Approved
0.5743 Remote Similarity NPD3145 Approved
0.5735 Remote Similarity NPD821 Approved
0.5735 Remote Similarity NPD5535 Approved
0.5724 Remote Similarity NPD1203 Approved
0.5724 Remote Similarity NPD1169 Approved
0.5714 Remote Similarity NPD2933 Approved
0.5714 Remote Similarity NPD2934 Approved
0.5714 Remote Similarity NPD1894 Discontinued
0.5714 Remote Similarity NPD3537 Clinical (unspecified phase)
0.5714 Remote Similarity NPD5752 Clinical (unspecified phase)
0.5705 Remote Similarity NPD2674 Phase 3
0.5694 Remote Similarity NPD2982 Phase 2
0.5694 Remote Similarity NPD2983 Phase 2
0.5685 Remote Similarity NPD6584 Phase 3
0.5676 Remote Similarity NPD7095 Approved
0.5669 Remote Similarity NPD2859 Approved
0.5669 Remote Similarity NPD2860 Approved
0.5664 Remote Similarity NPD422 Phase 1
0.5655 Remote Similarity NPD3225 Approved
0.5646 Remote Similarity NPD2861 Phase 2
0.5646 Remote Similarity NPD5266 Clinical (unspecified phase)
0.5638 Remote Similarity NPD6798 Discontinued
0.5633 Remote Similarity NPD1511 Approved
0.5629 Remote Similarity NPD447 Suspended
0.5625 Remote Similarity NPD2981 Phase 2
0.5625 Remote Similarity NPD2235 Phase 2
0.5625 Remote Similarity NPD2231 Phase 2
0.5625 Remote Similarity NPD1608 Approved
0.562 Remote Similarity NPD769 Approved
0.5616 Remote Similarity NPD2797 Approved
0.5616 Remote Similarity NPD9549 Phase 2
0.5608 Remote Similarity NPD4908 Phase 1
0.5603 Remote Similarity NPD1182 Approved
0.56 Remote Similarity NPD3532 Approved
0.56 Remote Similarity NPD4062 Phase 3
0.56 Remote Similarity NPD3531 Approved
0.56 Remote Similarity NPD6233 Phase 2
0.56 Remote Similarity NPD3530 Approved

Structure

External Identifiers

PubChem CID   22833122
ChEMBL   CHEMBL219937
ZINC  

Physicochemical Properties

Molecular Weight:  513.71
ALogP:  2.4805
MLogP:  2.01
XLogP:  4.494
# Rotatable Bonds:  8
Polar Surface Area:  49.69
# H-Bond Aceptor:  0
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  19

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs