Natural Product: NPC8058

Natural Product ID:  NPC8058
Common Name:   2,6-Dichloro-3-Hydroxy-4-Methoxybibenzyl
IUPAC Name:   2,4-dichloro-3-[2-(4-methoxyphenyl)ethyl]phenol
Synonyms:  
Molecular Formula:   C15H14Cl2O2
Standard InCHIKey:  QSWIRQVPUSIUGY-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H14Cl2O2/c1-19-11-5-2-10(3-6-11)4-7-12-13(16)8-9-14(18)15(12)17/h2-3,5-6,8-9,18H,4,7H2,1H3
Canonical SMILES:  COc1ccc(cc1)CCc1c(Cl)ccc(c1Cl)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
NPO33135 riccardia polyclada Species Aneuraceae Eukaryota PMID[18020419]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT176 Organism Artemia salina Artemia salina LC50 = 0.44 ppm 23488669
NPT1780 Organism Davidiella tassiana Davidiella tassiana IZ = 22 mm 8676127

  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 NPC8058 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
0.9754 High Similarity NPC246991
0.952 High Similarity NPC139335
0.879 High Similarity NPC42644
0.8678 High Similarity NPC244403
0.8512 High Similarity NPC91452
0.8403 Intermediate Similarity NPC146096
0.825 Intermediate Similarity NPC75440
0.8067 Intermediate Similarity NPC12987
0.8067 Intermediate Similarity NPC474603
0.7934 Intermediate Similarity NPC113457
0.7868 Intermediate Similarity NPC193334
0.7805 Intermediate Similarity NPC201959
0.7744 Intermediate Similarity NPC33402
0.7734 Intermediate Similarity NPC141090
0.7674 Intermediate Similarity NPC195466
0.7674 Intermediate Similarity NPC474933
0.7674 Intermediate Similarity NPC293619
0.7667 Intermediate Similarity NPC56379
0.7638 Intermediate Similarity NPC35344
0.7638 Intermediate Similarity NPC141003
0.7634 Intermediate Similarity NPC67791
0.7619 Intermediate Similarity NPC90520
0.7619 Intermediate Similarity NPC296920
0.7615 Intermediate Similarity NPC470626
0.7603 Intermediate Similarity NPC300166
0.7578 Intermediate Similarity NPC276737
0.7578 Intermediate Similarity NPC22610
0.7569 Intermediate Similarity NPC182475
0.7559 Intermediate Similarity NPC280606
0.7557 Intermediate Similarity NPC310338
0.7557 Intermediate Similarity NPC281298
0.7554 Intermediate Similarity NPC76453
0.7552 Intermediate Similarity NPC252901
0.754 Intermediate Similarity NPC43411
0.7519 Intermediate Similarity NPC808
0.7519 Intermediate Similarity NPC53906
0.7519 Intermediate Similarity NPC167934
0.75 Intermediate Similarity NPC242885
0.75 Intermediate Similarity NPC227217
0.75 Intermediate Similarity NPC131379
0.75 Intermediate Similarity NPC117780
0.75 Intermediate Similarity NPC232316
0.75 Intermediate Similarity NPC95614
0.75 Intermediate Similarity NPC56214
0.75 Intermediate Similarity NPC103916
0.75 Intermediate Similarity NPC165133
0.748 Intermediate Similarity NPC8547
0.748 Intermediate Similarity NPC241224
0.748 Intermediate Similarity NPC173746
0.748 Intermediate Similarity NPC156840
0.748 Intermediate Similarity NPC257124
0.7479 Intermediate Similarity NPC274678
0.7462 Intermediate Similarity NPC203113
0.7462 Intermediate Similarity NPC150624
0.746 Intermediate Similarity NPC474272
0.7445 Intermediate Similarity NPC26576
0.7444 Intermediate Similarity NPC205213
0.7444 Intermediate Similarity NPC207613
0.7444 Intermediate Similarity NPC129176
0.7442 Intermediate Similarity NPC228287
0.7442 Intermediate Similarity NPC180508
0.744 Intermediate Similarity NPC233320
0.7438 Intermediate Similarity NPC100870
0.741 Intermediate Similarity NPC30390
0.7405 Intermediate Similarity NPC244816
0.7405 Intermediate Similarity NPC470759
0.7405 Intermediate Similarity NPC33270
0.7405 Intermediate Similarity NPC50521
0.7405 Intermediate Similarity NPC69261
0.7405 Intermediate Similarity NPC15860
0.7405 Intermediate Similarity NPC127894
0.7405 Intermediate Similarity NPC219070
0.7405 Intermediate Similarity NPC221549
0.7402 Intermediate Similarity NPC475852
0.7402 Intermediate Similarity NPC94045
0.7388 Intermediate Similarity NPC38996
0.7388 Intermediate Similarity NPC476633
0.7388 Intermediate Similarity NPC54872
0.7388 Intermediate Similarity NPC262156
0.7388 Intermediate Similarity NPC184651
0.7388 Intermediate Similarity NPC113865
0.7388 Intermediate Similarity NPC343720
0.7388 Intermediate Similarity NPC312675
0.7388 Intermediate Similarity NPC14287
0.7388 Intermediate Similarity NPC470212
0.7388 Intermediate Similarity NPC160380
0.7388 Intermediate Similarity NPC473853
0.7388 Intermediate Similarity NPC324571
0.7361 Intermediate Similarity NPC86087
0.7353 Intermediate Similarity NPC235370
0.7348 Intermediate Similarity NPC474040
0.7348 Intermediate Similarity NPC63010
0.7348 Intermediate Similarity NPC474214
0.7348 Intermediate Similarity NPC190514
0.7344 Intermediate Similarity NPC275627
0.7333 Intermediate Similarity NPC41562
0.7333 Intermediate Similarity NPC90577
0.7333 Intermediate Similarity NPC30462
0.7333 Intermediate Similarity NPC85488
0.7328 Intermediate Similarity NPC85292
0.7328 Intermediate Similarity NPC54507
0.7328 Intermediate Similarity NPC229147
0.7328 Intermediate Similarity NPC114064
0.7323 Intermediate Similarity NPC246358
0.7323 Intermediate Similarity NPC233731
0.7323 Intermediate Similarity NPC7097
0.7323 Intermediate Similarity NPC36108
0.7313 Intermediate Similarity NPC102639
0.7293 Intermediate Similarity NPC184302
0.7293 Intermediate Similarity NPC474320
0.728 Intermediate Similarity NPC233396
0.728 Intermediate Similarity NPC154899
0.7279 Intermediate Similarity NPC197757
0.7279 Intermediate Similarity NPC228922
0.7279 Intermediate Similarity NPC31344
0.7279 Intermediate Similarity NPC233526
0.7279 Intermediate Similarity NPC282496
0.7279 Intermediate Similarity NPC317769
0.7279 Intermediate Similarity NPC84086
0.7279 Intermediate Similarity NPC249788
0.7279 Intermediate Similarity NPC280704
0.7279 Intermediate Similarity NPC136319
0.7279 Intermediate Similarity NPC471693
0.7273 Intermediate Similarity NPC86947
0.7273 Intermediate Similarity NPC164386
0.7266 Intermediate Similarity NPC168657
0.7266 Intermediate Similarity NPC137685
0.7259 Intermediate Similarity NPC127389
0.7259 Intermediate Similarity NPC290451
0.7258 Intermediate Similarity NPC305205
0.7252 Intermediate Similarity NPC296526
0.7252 Intermediate Similarity NPC464
0.7252 Intermediate Similarity NPC185541
0.7231 Intermediate Similarity NPC165106
0.7227 Intermediate Similarity NPC45040
0.7227 Intermediate Similarity NPC322888
0.7227 Intermediate Similarity NPC321956
0.7226 Intermediate Similarity NPC228503
0.7226 Intermediate Similarity NPC138248
0.7226 Intermediate Similarity NPC5796
0.7226 Intermediate Similarity NPC206487
0.7222 Intermediate Similarity NPC92623
0.7222 Intermediate Similarity NPC135464
0.7218 Intermediate Similarity NPC131118
0.7214 Intermediate Similarity NPC185313
0.7213 Intermediate Similarity NPC470161
0.7209 Intermediate Similarity NPC195873
0.7209 Intermediate Similarity NPC139617
0.7209 Intermediate Similarity NPC78918
0.7206 Intermediate Similarity NPC151237
0.72 Intermediate Similarity NPC38079
0.72 Intermediate Similarity NPC292792
0.72 Intermediate Similarity NPC108875
0.7197 Intermediate Similarity NPC19290
0.7197 Intermediate Similarity NPC221049
0.719 Intermediate Similarity NPC26244
0.7185 Intermediate Similarity NPC131868
0.7185 Intermediate Similarity NPC277798
0.7185 Intermediate Similarity NPC100108
0.7178 Intermediate Similarity NPC470422
0.7176 Intermediate Similarity NPC470837
0.7174 Intermediate Similarity NPC298757
0.7174 Intermediate Similarity NPC29008
0.7174 Intermediate Similarity NPC266705
0.7174 Intermediate Similarity NPC105925
0.7174 Intermediate Similarity NPC233410
0.7174 Intermediate Similarity NPC148627
0.7174 Intermediate Similarity NPC117214
0.7174 Intermediate Similarity NPC193544
0.7174 Intermediate Similarity NPC57490
0.7174 Intermediate Similarity NPC105031
0.7174 Intermediate Similarity NPC278955
0.7174 Intermediate Similarity NPC105718
0.7174 Intermediate Similarity NPC116907
0.7174 Intermediate Similarity NPC53305
0.7174 Intermediate Similarity NPC251855
0.7174 Intermediate Similarity NPC257589
0.7174 Intermediate Similarity NPC228771
0.7174 Intermediate Similarity NPC9067
0.7174 Intermediate Similarity NPC472093
0.7174 Intermediate Similarity NPC203133
0.7174 Intermediate Similarity NPC17943
0.7174 Intermediate Similarity NPC208950
0.7174 Intermediate Similarity NPC221077
0.7174 Intermediate Similarity NPC113495
0.7174 Intermediate Similarity NPC475169
0.7172 Intermediate Similarity NPC475423
0.7165 Intermediate Similarity NPC227894
0.7165 Intermediate Similarity NPC251306
0.7164 Intermediate Similarity NPC226629
0.7164 Intermediate Similarity NPC24474
0.7164 Intermediate Similarity NPC311595
0.7154 Intermediate Similarity NPC92730
0.7154 Intermediate Similarity NPC98372
0.7143 Intermediate Similarity NPC470393
0.7143 Intermediate Similarity NPC71853
0.7132 Intermediate Similarity NPC2682
0.7132 Intermediate Similarity NPC303521
0.7132 Intermediate Similarity NPC251259
0.7131 Intermediate Similarity NPC473388

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC8058 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
0.7808 Intermediate Similarity NPD2370 Clinical (unspecified phase)
0.7769 Intermediate Similarity NPD4589 Approved
0.7754 Intermediate Similarity NPD1184 Approved
0.7742 Intermediate Similarity NPD5451 Approved
0.7686 Intermediate Similarity NPD9500 Approved
0.7518 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7518 Intermediate Similarity NPD4538 Approved
0.7518 Intermediate Similarity NPD4536 Approved
0.748 Intermediate Similarity NPD228 Approved
0.7463 Intermediate Similarity NPD1157 Approved
0.7445 Intermediate Similarity NPD454 Approved
0.7444 Intermediate Similarity NPD915 Approved
0.7442 Intermediate Similarity NPD1476 Clinical (unspecified phase)
0.7343 Intermediate Similarity NPD5960 Phase 3
0.7343 Intermediate Similarity NPD5588 Approved
0.7297 Intermediate Similarity NPD7040 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD7041 Phase 2
0.7279 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD6516 Phase 2
0.7239 Intermediate Similarity NPD5846 Approved
0.7231 Intermediate Similarity NPD5283 Phase 1
0.7222 Intermediate Similarity NPD968 Approved
0.7211 Intermediate Similarity NPD4535 Phase 3
0.719 Intermediate Similarity NPD2859 Approved
0.719 Intermediate Similarity NPD2860 Approved
0.7154 Intermediate Similarity NPD3020 Approved
0.7122 Intermediate Similarity NPD6584 Phase 3
0.7121 Intermediate Similarity NPD6671 Approved
0.7114 Intermediate Similarity NPD5058 Phase 3
0.7107 Intermediate Similarity NPD2934 Approved
0.7107 Intermediate Similarity NPD2933 Approved
0.7097 Intermediate Similarity NPD1616 Discontinued
0.7089 Intermediate Similarity NPD3365 Discontinued
0.7075 Intermediate Similarity NPD4534 Discontinued
0.7073 Intermediate Similarity NPD3303 Discontinued
0.702 Intermediate Similarity NPD1578 Phase 2
0.7007 Intermediate Similarity NPD1610 Phase 2
0.7 Intermediate Similarity NPD6815 Approved
0.6978 Remote Similarity NPD1283 Approved
0.6977 Remote Similarity NPD2684 Approved
0.6972 Remote Similarity NPD3027 Phase 3
0.6966 Remote Similarity NPD2986 Phase 2
0.6966 Remote Similarity NPD2989 Phase 2
0.6963 Remote Similarity NPD1548 Phase 1
0.6959 Remote Similarity NPD5958 Discontinued
0.6959 Remote Similarity NPD2808 Discontinued
0.695 Remote Similarity NPD2861 Phase 2
0.6939 Remote Similarity NPD1501 Clinical (unspecified phase)
0.6929 Remote Similarity NPD987 Approved
0.6929 Remote Similarity NPD9501 Approved
0.6923 Remote Similarity NPD3021 Approved
0.6923 Remote Similarity NPD3022 Approved
0.6912 Remote Similarity NPD1651 Approved
0.6906 Remote Similarity NPD6582 Phase 2
0.6906 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6906 Remote Similarity NPD6583 Phase 3
0.6906 Remote Similarity NPD1669 Approved
0.6899 Remote Similarity NPD9552 Approved
0.6866 Remote Similarity NPD709 Approved
0.6861 Remote Similarity NPD2668 Approved
0.6861 Remote Similarity NPD2667 Approved
0.6861 Remote Similarity NPD4626 Approved
0.6835 Remote Similarity NPD2232 Approved
0.6835 Remote Similarity NPD2233 Approved
0.6835 Remote Similarity NPD2230 Approved
0.6829 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6828 Remote Similarity NPD4060 Phase 1
0.6825 Remote Similarity NPD1242 Phase 1
0.6812 Remote Similarity NPD3847 Discontinued
0.6803 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6786 Remote Similarity NPD6543 Approved
0.6786 Remote Similarity NPD6539 Approved
0.6786 Remote Similarity NPD6540 Phase 3
0.6786 Remote Similarity NPD6542 Approved
0.6783 Remote Similarity NPD4908 Phase 1
0.6783 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6774 Remote Similarity NPD844 Approved
0.6767 Remote Similarity NPD821 Approved
0.6767 Remote Similarity NPD7843 Approved
0.6767 Remote Similarity NPD5535 Approved
0.6763 Remote Similarity NPD1281 Approved
0.6761 Remote Similarity NPD4624 Approved
0.6741 Remote Similarity NPD7157 Approved
0.6739 Remote Similarity NPD1010 Approved
0.6738 Remote Similarity NPD6541 Approved
0.6738 Remote Similarity NPD6538 Approved
0.6731 Remote Similarity NPD6057 Approved
0.6731 Remote Similarity NPD6056 Approved
0.672 Remote Similarity NPD288 Approved
0.6715 Remote Similarity NPD1182 Approved
0.6714 Remote Similarity NPD1608 Approved
0.6713 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6712 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6712 Remote Similarity NPD1613 Approved
0.6711 Remote Similarity NPD2354 Approved
0.6693 Remote Similarity NPD289 Clinical (unspecified phase)
0.669 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6689 Remote Similarity NPD1416 Approved
0.6667 Remote Similarity NPD1357 Approved
0.6667 Remote Similarity NPD4359 Approved
0.6667 Remote Similarity NPD9251 Approved
0.6643 Remote Similarity NPD1535 Discovery
0.6642 Remote Similarity NPD5536 Phase 2
0.6641 Remote Similarity NPD290 Approved
0.6639 Remote Similarity NPD111 Approved
0.6639 Remote Similarity NPD9073 Approved
0.6623 Remote Similarity NPD2170 Clinical (unspecified phase)
0.6621 Remote Similarity NPD7095 Approved
0.6621 Remote Similarity NPD1024 Discontinued
0.6621 Remote Similarity NPD4625 Phase 3
0.66 Remote Similarity NPD2935 Discontinued
0.6599 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6599 Remote Similarity NPD1558 Phase 1
0.6599 Remote Similarity NPD1555 Discontinued
0.6599 Remote Similarity NPD3620 Phase 2
0.6596 Remote Similarity NPD1840 Phase 2
0.6596 Remote Similarity NPD2231 Phase 2
0.6596 Remote Similarity NPD1481 Phase 2
0.6596 Remote Similarity NPD2235 Phase 2
0.6594 Remote Similarity NPD1894 Discontinued
0.6582 Remote Similarity NPD1714 Approved
0.6582 Remote Similarity NPD1715 Phase 1
0.6569 Remote Similarity NPD694 Clinical (unspecified phase)
0.6569 Remote Similarity NPD3596 Phase 2
0.6561 Remote Similarity NPD1969 Clinical (unspecified phase)
0.6561 Remote Similarity NPD1972 Approved
0.6561 Remote Similarity NPD1973 Approved
0.6557 Remote Similarity NPD9295 Approved
0.6556 Remote Similarity NPD2377 Approved
0.6556 Remote Similarity NPD2376 Approved
0.6556 Remote Similarity NPD2353 Approved
0.6556 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6556 Remote Similarity NPD2378 Approved
0.6549 Remote Similarity NPD5327 Phase 3
0.6549 Remote Similarity NPD4749 Approved
0.6547 Remote Similarity NPD5691 Approved
0.6544 Remote Similarity NPD911 Approved
0.6541 Remote Similarity NPD958 Approved
0.6538 Remote Similarity NPD3364 Phase 3
0.6536 Remote Similarity NPD1718 Discontinued
0.6525 Remote Similarity NPD422 Phase 1
0.6522 Remote Similarity NPD2379 Clinical (unspecified phase)
0.6519 Remote Similarity NPD5894 Phase 2
0.6519 Remote Similarity NPD769 Approved
0.6519 Remote Similarity NPD4017 Approved
0.6512 Remote Similarity NPD940 Approved
0.6512 Remote Similarity NPD846 Approved
0.651 Remote Similarity NPD4097 Suspended
0.65 Remote Similarity NPD17 Approved
0.6496 Remote Similarity NPD9685 Approved
0.6494 Remote Similarity NPD3887 Approved
0.6491 Remote Similarity NPD3337 Discontinued
0.6486 Remote Similarity NPD2238 Phase 2
0.6486 Remote Similarity NPD1240 Approved
0.6486 Remote Similarity NPD4140 Approved
0.6475 Remote Similarity NPD3091 Approved
0.6475 Remote Similarity NPD6581 Approved
0.6475 Remote Similarity NPD6580 Approved
0.6471 Remote Similarity NPD1241 Discontinued
0.6456 Remote Similarity NPD957 Approved
0.6454 Remote Similarity NPD3496 Discontinued
0.6444 Remote Similarity NPD2500 Approved
0.6444 Remote Similarity NPD2499 Approved
0.6443 Remote Similarity NPD5735 Approved
0.6439 Remote Similarity NPD3134 Approved
0.6434 Remote Similarity NPD2982 Phase 2
0.6434 Remote Similarity NPD2983 Phase 2
0.6433 Remote Similarity NPD1940 Clinical (unspecified phase)
0.6429 Remote Similarity NPD5585 Approved
0.6429 Remote Similarity NPD6830 Clinical (unspecified phase)
0.6419 Remote Similarity NPD829 Discontinued
0.6419 Remote Similarity NPD2674 Phase 3
0.6418 Remote Similarity NPD1792 Phase 2
0.6414 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6412 Remote Similarity NPD7959 Clinical (unspecified phase)
0.6408 Remote Similarity NPD1611 Approved
0.6407 Remote Similarity NPD5822 Clinical (unspecified phase)
0.6405 Remote Similarity NPD7037 Approved
0.64 Remote Similarity NPD6353 Approved
0.64 Remote Similarity NPD4579 Clinical (unspecified phase)
0.64 Remote Similarity NPD1607 Approved
0.6398 Remote Similarity NPD4018 Clinical (unspecified phase)
0.6397 Remote Similarity NPD7635 Approved
0.6395 Remote Similarity NPD2598 Clinical (unspecified phase)
0.6391 Remote Similarity NPD4873 Discontinued
0.6391 Remote Similarity NPD2342 Discontinued
0.6391 Remote Similarity NPD1358 Approved
0.6391 Remote Similarity NPD9532 Phase 3
0.6389 Remote Similarity NPD1876 Approved
0.6383 Remote Similarity NPD1778 Approved
0.6378 Remote Similarity NPD1809 Phase 2
0.6377 Remote Similarity NPD191 Approved
0.6377 Remote Similarity NPD2557 Approved
0.6376 Remote Similarity NPD5837 Clinical (unspecified phase)
0.6375 Remote Similarity NPD4972 Discontinued
0.6374 Remote Similarity NPD8014 Clinical (unspecified phase)
0.637 Remote Similarity NPD9494 Approved
0.637 Remote Similarity NPD3018 Phase 2
0.6364 Remote Similarity NPD3972 Approved
0.6364 Remote Similarity NPD3060 Approved

Structure

External Identifiers

PubChem CID   24762917
ChEMBL   CHEMBL442277
ZINC  

Physicochemical Properties

Molecular Weight:  296.04
ALogP:  1.1013
MLogP:  2.67
XLogP:  4.683
# Rotatable Bonds:  8
Polar Surface Area:  29.46
# H-Bond Aceptor:  0
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  19

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs