Natural Product: NPC473372

Natural Product ID:  NPC473372
Common Name:   3-Bromo-2',6-Dihydroxydiphenylmethane
IUPAC Name:   4-bromo-2-[(2-hydroxyphenyl)methyl]phenol
Synonyms:  
Molecular Formula:   C13H11BrO2
Standard InCHIKey:  VDVSLSBERNXCQD-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H11BrO2/c14-11-5-6-13(16)10(8-11)7-9-3-1-2-4-12(9)15/h1-6,8,15-16H,7H2
Canonical SMILES:  Brc1ccc(c(c1)Cc1ccccc1O)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
NPO4939 Odonthalia corymbifera Species Rhodomelaceae Eukaryota PMID[18053715]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT329 Organism Trichophyton rubrum Trichophyton rubrum MIC > 100 ug/ml 17387019
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 25 ug/ml DrugMatrix in vitro pharmacology data
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC = 25 ug/ml 10.1007/s00044-013-0839-2
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 25 ug/ml PubChem BioAssay data set
NPT19 Organism Escherichia coli Escherichia coli MIC > 100 ug/ml PubChem BioAssay data set
NPT20 Organism Candida albicans Candida albicans MIC > 100 ug/ml 23369536
NPT3173 Organism Arthroderma benhamiae Arthroderma benhamiae MIC > 100 ug/ml 18955522
NPT766 Organism Proteus vulgaris Proteus vulgaris MIC = 25 ug/ml 19581457
NPT87 Organism Aspergillus fumigatus Aspergillus fumigatus MIC > 100 ug/ml 17524651
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium MIC = 25 ug/ml 23398362

  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 NPC473372 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
0.9902 High Similarity NPC471487
0.9252 High Similarity NPC471488
0.8991 High Similarity NPC94217
0.8962 High Similarity NPC471495
0.8796 High Similarity NPC473358
0.8727 High Similarity NPC33244
0.8609 High Similarity NPC471486
0.8532 High Similarity NPC54543
0.835 Intermediate Similarity NPC128062
0.8252 Intermediate Similarity NPC271440
0.8155 Intermediate Similarity NPC45040
0.8073 Intermediate Similarity NPC119860
0.8073 Intermediate Similarity NPC102216
0.802 Intermediate Similarity NPC155393
0.8 Intermediate Similarity NPC474839
0.8 Intermediate Similarity NPC151715
0.7966 Intermediate Similarity NPC38483
0.7941 Intermediate Similarity NPC307235
0.7941 Intermediate Similarity NPC407
0.7928 Intermediate Similarity NPC248904
0.7925 Intermediate Similarity NPC26244
0.7925 Intermediate Similarity NPC274678
0.789 Intermediate Similarity NPC143659
0.789 Intermediate Similarity NPC100340
0.789 Intermediate Similarity NPC12221
0.7874 Intermediate Similarity NPC244890
0.785 Intermediate Similarity NPC473388
0.783 Intermediate Similarity NPC76938
0.7822 Intermediate Similarity NPC319826
0.7818 Intermediate Similarity NPC168829
0.781 Intermediate Similarity NPC306074
0.7805 Intermediate Similarity NPC220311
0.7795 Intermediate Similarity NPC300678
0.7788 Intermediate Similarity NPC95344
0.7788 Intermediate Similarity NPC63698
0.7788 Intermediate Similarity NPC174981
0.7788 Intermediate Similarity NPC61885
0.7778 Intermediate Similarity NPC156313
0.7769 Intermediate Similarity NPC7830
0.7759 Intermediate Similarity NPC76400
0.7757 Intermediate Similarity NPC32714
0.7748 Intermediate Similarity NPC241891
0.7748 Intermediate Similarity NPC30506
0.7748 Intermediate Similarity NPC288411
0.7745 Intermediate Similarity NPC286904
0.7719 Intermediate Similarity NPC19808
0.7719 Intermediate Similarity NPC33728
0.7717 Intermediate Similarity NPC43613
0.7706 Intermediate Similarity NPC92730
0.7706 Intermediate Similarity NPC132078
0.7706 Intermediate Similarity NPC216468
0.7706 Intermediate Similarity NPC51333
0.7706 Intermediate Similarity NPC80027
0.7706 Intermediate Similarity NPC78119
0.7705 Intermediate Similarity NPC296202
0.7685 Intermediate Similarity NPC132271
0.7685 Intermediate Similarity NPC82664
0.7685 Intermediate Similarity NPC216520
0.7685 Intermediate Similarity NPC292730
0.7679 Intermediate Similarity NPC134829
0.7679 Intermediate Similarity NPC219286
0.7679 Intermediate Similarity NPC138942
0.7679 Intermediate Similarity NPC292452
0.7679 Intermediate Similarity NPC99557
0.7664 Intermediate Similarity NPC152415
0.7658 Intermediate Similarity NPC168393
0.7658 Intermediate Similarity NPC233827
0.7652 Intermediate Similarity NPC475018
0.7642 Intermediate Similarity NPC204210
0.7636 Intermediate Similarity NPC130103
0.7636 Intermediate Similarity NPC294741
0.7636 Intermediate Similarity NPC213730
0.7619 Intermediate Similarity NPC318325
0.7619 Intermediate Similarity NPC123273
0.7619 Intermediate Similarity NPC258219
0.7619 Intermediate Similarity NPC242240
0.7615 Intermediate Similarity NPC225464
0.7615 Intermediate Similarity NPC291789
0.7611 Intermediate Similarity NPC302681
0.7611 Intermediate Similarity NPC39097
0.7611 Intermediate Similarity NPC470700
0.7611 Intermediate Similarity NPC109691
0.7611 Intermediate Similarity NPC118286
0.7611 Intermediate Similarity NPC54765
0.7611 Intermediate Similarity NPC39664
0.7607 Intermediate Similarity NPC59387
0.7597 Intermediate Similarity NPC163560
0.7596 Intermediate Similarity NPC23167
0.7593 Intermediate Similarity NPC313650
0.7593 Intermediate Similarity NPC8392
0.7586 Intermediate Similarity NPC225679
0.7586 Intermediate Similarity NPC224527
0.7586 Intermediate Similarity NPC4493
0.7586 Intermediate Similarity NPC165770
0.7586 Intermediate Similarity NPC476632
0.7581 Intermediate Similarity NPC137117
0.7581 Intermediate Similarity NPC213414
0.7573 Intermediate Similarity NPC175313
0.7568 Intermediate Similarity NPC7686
0.7568 Intermediate Similarity NPC91461
0.7568 Intermediate Similarity NPC40258
0.7568 Intermediate Similarity NPC51015
0.7565 Intermediate Similarity NPC202647
0.7559 Intermediate Similarity NPC474614
0.7547 Intermediate Similarity NPC192
0.7547 Intermediate Similarity NPC300017
0.7547 Intermediate Similarity NPC300478
0.7547 Intermediate Similarity NPC47950
0.7545 Intermediate Similarity NPC128723
0.7544 Intermediate Similarity NPC54844
0.7538 Intermediate Similarity NPC312155
0.7524 Intermediate Similarity NPC25493
0.7524 Intermediate Similarity NPC27974
0.7524 Intermediate Similarity NPC113460
0.7523 Intermediate Similarity NPC312132
0.7523 Intermediate Similarity NPC259512
0.7522 Intermediate Similarity NPC246056
0.7521 Intermediate Similarity NPC43525
0.7521 Intermediate Similarity NPC166995
0.75 Intermediate Similarity NPC135784
0.75 Intermediate Similarity NPC245187
0.75 Intermediate Similarity NPC289769
0.75 Intermediate Similarity NPC197783
0.748 Intermediate Similarity NPC136543
0.7478 Intermediate Similarity NPC262365
0.7477 Intermediate Similarity NPC129373
0.7477 Intermediate Similarity NPC248573
0.7477 Intermediate Similarity NPC275053
0.7477 Intermediate Similarity NPC304541
0.7477 Intermediate Similarity NPC161571
0.7477 Intermediate Similarity NPC231150
0.7477 Intermediate Similarity NPC248396
0.7477 Intermediate Similarity NPC174911
0.7477 Intermediate Similarity NPC48730
0.7477 Intermediate Similarity NPC72729
0.7477 Intermediate Similarity NPC10588
0.7476 Intermediate Similarity NPC265146
0.7463 Intermediate Similarity NPC118794
0.7458 Intermediate Similarity NPC261343
0.7458 Intermediate Similarity NPC117846
0.7456 Intermediate Similarity NPC271274
0.7456 Intermediate Similarity NPC67250
0.7455 Intermediate Similarity NPC32674
0.7455 Intermediate Similarity NPC79241
0.7455 Intermediate Similarity NPC77492
0.7455 Intermediate Similarity NPC6597
0.7455 Intermediate Similarity NPC152097
0.7453 Intermediate Similarity NPC70436
0.7453 Intermediate Similarity NPC177420
0.7453 Intermediate Similarity NPC280347
0.7436 Intermediate Similarity NPC151537
0.7434 Intermediate Similarity NPC238696
0.7434 Intermediate Similarity NPC227458
0.7434 Intermediate Similarity NPC218879
0.7434 Intermediate Similarity NPC8931
0.7434 Intermediate Similarity NPC323810
0.7434 Intermediate Similarity NPC261573
0.7434 Intermediate Similarity NPC120693
0.7434 Intermediate Similarity NPC244513
0.7434 Intermediate Similarity NPC471511
0.7431 Intermediate Similarity NPC246679
0.7424 Intermediate Similarity NPC224663
0.7417 Intermediate Similarity NPC79844
0.7414 Intermediate Similarity NPC306045
0.7414 Intermediate Similarity NPC265211
0.7411 Intermediate Similarity NPC284011
0.7411 Intermediate Similarity NPC72947
0.7407 Intermediate Similarity NPC55903
0.7407 Intermediate Similarity NPC210497
0.7407 Intermediate Similarity NPC306884
0.7407 Intermediate Similarity NPC325292
0.7407 Intermediate Similarity NPC29373
0.7407 Intermediate Similarity NPC94139
0.7407 Intermediate Similarity NPC162314
0.7407 Intermediate Similarity NPC147284
0.7407 Intermediate Similarity NPC138117
0.7407 Intermediate Similarity NPC3358
0.7404 Intermediate Similarity NPC248817
0.7402 Intermediate Similarity NPC159987
0.7402 Intermediate Similarity NPC13004
0.7402 Intermediate Similarity NPC78061
0.7402 Intermediate Similarity NPC122359
0.7395 Intermediate Similarity NPC107240
0.7395 Intermediate Similarity NPC473137
0.7395 Intermediate Similarity NPC249270
0.7395 Intermediate Similarity NPC12656
0.7391 Intermediate Similarity NPC141523
0.7391 Intermediate Similarity NPC204901
0.7391 Intermediate Similarity NPC232523
0.7391 Intermediate Similarity NPC320439
0.7391 Intermediate Similarity NPC158253
0.7387 Intermediate Similarity NPC33675
0.7387 Intermediate Similarity NPC260775
0.7387 Intermediate Similarity NPC252821
0.7387 Intermediate Similarity NPC299762
0.7387 Intermediate Similarity NPC122005
0.7383 Intermediate Similarity NPC55561
0.7368 Intermediate Similarity NPC471350
0.7368 Intermediate Similarity NPC154899
0.7368 Intermediate Similarity NPC233396

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473372 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
0.7925 Intermediate Similarity NPD2859 Approved
0.7925 Intermediate Similarity NPD2860 Approved
0.783 Intermediate Similarity NPD2934 Approved
0.783 Intermediate Similarity NPD2933 Approved
0.7727 Intermediate Similarity NPD940 Approved
0.7727 Intermediate Similarity NPD846 Approved
0.7706 Intermediate Similarity NPD3020 Approved
0.7593 Intermediate Similarity NPD844 Approved
0.757 Intermediate Similarity NPD845 Approved
0.7523 Intermediate Similarity NPD288 Approved
0.7477 Intermediate Similarity NPD1242 Phase 1
0.7477 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7395 Intermediate Similarity NPD1476 Clinical (unspecified phase)
0.7339 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD111 Approved
0.7287 Intermediate Similarity NPD1223 Clinical (unspecified phase)
0.7281 Intermediate Similarity NPD9244 Approved
0.7273 Intermediate Similarity NPD1809 Phase 2
0.7265 Intermediate Similarity NPD4750 Phase 3
0.7241 Intermediate Similarity NPD2342 Discontinued
0.7164 Intermediate Similarity NPD1169 Approved
0.7119 Intermediate Similarity NPD3022 Approved
0.7119 Intermediate Similarity NPD3021 Approved
0.7083 Intermediate Similarity NPD7635 Approved
0.7016 Intermediate Similarity NPD1548 Phase 1
0.7009 Intermediate Similarity NPD968 Approved
0.6991 Remote Similarity NPD9273 Approved
0.6929 Remote Similarity NPD1610 Phase 2
0.6929 Remote Similarity NPD1201 Approved
0.687 Remote Similarity NPD3028 Approved
0.6833 Remote Similarity NPD9380 Clinical (unspecified phase)
0.6833 Remote Similarity NPD1792 Phase 2
0.6774 Remote Similarity NPD6671 Approved
0.6772 Remote Similarity NPD5238 Clinical (unspecified phase)
0.6748 Remote Similarity NPD2228 Approved
0.6748 Remote Similarity NPD2229 Approved
0.6748 Remote Similarity NPD2234 Approved
0.6746 Remote Similarity NPD5304 Approved
0.6746 Remote Similarity NPD5303 Approved
0.6733 Remote Similarity NPD9087 Approved
0.6723 Remote Similarity NPD1444 Approved
0.6723 Remote Similarity NPD1445 Approved
0.6718 Remote Similarity NPD1470 Approved
0.6698 Remote Similarity NPD9089 Approved
0.6695 Remote Similarity NPD9608 Approved
0.6695 Remote Similarity NPD9610 Approved
0.6644 Remote Similarity NPD4288 Approved
0.6642 Remote Similarity NPD9718 Approved
0.6641 Remote Similarity NPD4589 Approved
0.6635 Remote Similarity NPD9088 Approved
0.6617 Remote Similarity NPD2861 Phase 2
0.6614 Remote Similarity NPD7330 Discontinued
0.6604 Remote Similarity NPD9093 Approved
0.6587 Remote Similarity NPD7325 Clinical (unspecified phase)
0.6585 Remote Similarity NPD6124 Clinical (unspecified phase)
0.6567 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6567 Remote Similarity NPD4908 Phase 1
0.6565 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6565 Remote Similarity NPD4659 Approved
0.656 Remote Similarity NPD497 Approved
0.6538 Remote Similarity NPD422 Phase 1
0.6538 Remote Similarity NPD9294 Approved
0.6529 Remote Similarity NPD290 Approved
0.6529 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6519 Remote Similarity NPD4625 Phase 3
0.6512 Remote Similarity NPD2286 Discontinued
0.6508 Remote Similarity NPD709 Approved
0.6493 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6489 Remote Similarity NPD2561 Approved
0.6489 Remote Similarity NPD2562 Approved
0.6484 Remote Similarity NPD2226 Clinical (unspecified phase)
0.6484 Remote Similarity NPD3091 Approved
0.648 Remote Similarity NPD495 Approved
0.648 Remote Similarity NPD7159 Clinical (unspecified phase)
0.648 Remote Similarity NPD496 Approved
0.648 Remote Similarity NPD498 Approved
0.6475 Remote Similarity NPD74 Approved
0.6475 Remote Similarity NPD9266 Approved
0.6471 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6471 Remote Similarity NPD9500 Approved
0.6466 Remote Similarity NPD4103 Phase 2
0.6466 Remote Similarity NPD4104 Clinical (unspecified phase)
0.6466 Remote Similarity NPD1164 Approved
0.6466 Remote Similarity NPD4339 Clinical (unspecified phase)
0.6457 Remote Similarity NPD405 Clinical (unspecified phase)
0.6452 Remote Similarity NPD228 Approved
0.6439 Remote Similarity NPD4749 Approved
0.6438 Remote Similarity NPD2183 Approved
0.6438 Remote Similarity NPD2184 Approved
0.6434 Remote Similarity NPD4093 Discontinued
0.6424 Remote Similarity NPD2296 Approved
0.6423 Remote Similarity NPD6407 Approved
0.6423 Remote Similarity NPD6405 Approved
0.6423 Remote Similarity NPD5451 Approved
0.6412 Remote Similarity NPD3092 Approved
0.6406 Remote Similarity NPD318 Approved
0.6406 Remote Similarity NPD317 Approved
0.6406 Remote Similarity NPD856 Approved
0.6406 Remote Similarity NPD16 Approved
0.64 Remote Similarity NPD2497 Approved
0.64 Remote Similarity NPD9379 Approved
0.64 Remote Similarity NPD9377 Approved
0.64 Remote Similarity NPD2496 Approved
0.6393 Remote Similarity NPD9263 Approved
0.6393 Remote Similarity NPD9267 Approved
0.6393 Remote Similarity NPD9264 Approved
0.6385 Remote Similarity NPD2932 Approved
0.6385 Remote Similarity NPD4059 Approved
0.6385 Remote Similarity NPD3019 Approved
0.6378 Remote Similarity NPD256 Approved
0.6378 Remote Similarity NPD255 Approved
0.6377 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6377 Remote Similarity NPD1240 Approved
0.6377 Remote Similarity NPD943 Approved
0.6377 Remote Similarity NPD1613 Approved
0.6371 Remote Similarity NPD9280 Clinical (unspecified phase)
0.6364 Remote Similarity NPD1608 Approved
0.6364 Remote Similarity NPD1157 Approved
0.6357 Remote Similarity NPD1759 Phase 1
0.6343 Remote Similarity NPD1129 Approved
0.6343 Remote Similarity NPD1134 Approved
0.6343 Remote Similarity NPD1135 Approved
0.6343 Remote Similarity NPD1133 Approved
0.6343 Remote Similarity NPD1131 Approved
0.6343 Remote Similarity NPD2797 Approved
0.6341 Remote Similarity NPD2684 Approved
0.6339 Remote Similarity NPD9094 Approved
0.6336 Remote Similarity NPD1981 Approved
0.6336 Remote Similarity NPD1983 Approved
0.6336 Remote Similarity NPD1980 Approved
0.6328 Remote Similarity NPD9493 Approved
0.6316 Remote Similarity NPD6583 Phase 3
0.6316 Remote Similarity NPD6582 Phase 2
0.6303 Remote Similarity NPD1616 Discontinued
0.6299 Remote Similarity NPD1168 Approved
0.6299 Remote Similarity NPD9618 Approved
0.6299 Remote Similarity NPD1791 Approved
0.6299 Remote Similarity NPD9614 Approved
0.6299 Remote Similarity NPD1793 Approved
0.6288 Remote Similarity NPD1535 Discovery
0.6288 Remote Similarity NPD1091 Approved
0.6288 Remote Similarity NPD5351 Clinical (unspecified phase)
0.6288 Remote Similarity NPD5350 Clinical (unspecified phase)
0.6286 Remote Similarity NPD1607 Approved
0.6281 Remote Similarity NPD1237 Approved
0.6279 Remote Similarity NPD1758 Phase 1
0.6277 Remote Similarity NPD3027 Phase 3
0.6277 Remote Similarity NPD2372 Approved
0.627 Remote Similarity NPD5535 Approved
0.6269 Remote Similarity NPD3225 Approved
0.626 Remote Similarity NPD9381 Approved
0.626 Remote Similarity NPD1751 Approved
0.626 Remote Similarity NPD9384 Approved
0.6259 Remote Similarity NPD1555 Discontinued
0.625 Remote Similarity NPD2557 Approved
0.625 Remote Similarity NPD6387 Discontinued
0.6241 Remote Similarity NPD3554 Approved
0.6241 Remote Similarity NPD3555 Approved
0.6241 Remote Similarity NPD2232 Approved
0.6241 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6241 Remote Similarity NPD1481 Phase 2
0.6241 Remote Similarity NPD2233 Approved
0.6241 Remote Similarity NPD3552 Approved
0.6241 Remote Similarity NPD3553 Approved
0.6241 Remote Similarity NPD2230 Approved
0.6232 Remote Similarity NPD3764 Approved
0.6231 Remote Similarity NPD9545 Approved
0.623 Remote Similarity NPD9697 Approved
0.6222 Remote Similarity NPD1203 Approved
0.6222 Remote Similarity NPD3094 Phase 2
0.622 Remote Similarity NPD5283 Phase 1
0.6212 Remote Similarity NPD3847 Discontinued
0.6212 Remote Similarity NPD3421 Phase 3
0.6202 Remote Similarity NPD9568 Approved
0.6202 Remote Similarity NPD7636 Approved
0.6198 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6198 Remote Similarity NPD4656 Approved
0.6198 Remote Similarity NPD4658 Approved
0.6197 Remote Similarity NPD1510 Phase 2
0.6183 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6183 Remote Similarity NPD4235 Clinical (unspecified phase)
0.6176 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6176 Remote Similarity NPD6584 Phase 3
0.6172 Remote Similarity NPD475 Phase 2
0.6154 Remote Similarity NPD9613 Approved
0.6154 Remote Similarity NPD9615 Approved
0.6154 Remote Similarity NPD9616 Approved
0.6148 Remote Similarity NPD5310 Approved
0.6148 Remote Similarity NPD6696 Suspended
0.6148 Remote Similarity NPD5311 Approved
0.6143 Remote Similarity NPD4060 Phase 1
0.6142 Remote Similarity NPD1138 Approved
0.6142 Remote Similarity NPD7843 Approved
0.6142 Remote Similarity NPD821 Approved
0.614 Remote Similarity NPD9295 Approved
0.6136 Remote Similarity NPD6516 Phase 2
0.6136 Remote Similarity NPD2668 Approved
0.6136 Remote Similarity NPD5846 Approved
0.6136 Remote Similarity NPD3095 Discontinued
0.6136 Remote Similarity NPD2667 Approved

Structure

External Identifiers

PubChem CID   44446408
ChEMBL   CHEMBL403910
ZINC  

Physicochemical Properties

Molecular Weight:  277.99
ALogP:  0.4244
MLogP:  2.56
XLogP:  3.837
# Rotatable Bonds:  5
Polar Surface Area:  40.46
# H-Bond Aceptor:  0
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  16

Download Data

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Biological Activities  
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