Natural Product: NPC91452

Natural Product ID:  NPC91452
Common Name:   2,4-Dichloro-3-Hydroxybibenzyl
IUPAC Name:   2,6-dichloro-3-(2-phenylethyl)phenol
Synonyms:  
Molecular Formula:   C14H12Cl2O
Standard InCHIKey:  WQPCLLKHKQIJRZ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C14H12Cl2O/c15-12-9-8-11(13(16)14(12)17)7-6-10-4-2-1-3-5-10/h1-5,8-9,17H,6-7H2
Canonical SMILES:  Clc1ccc(c(c1O)Cl)CCc1ccccc1
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
NPO32907 riccardia marginata Species Aneuraceae Eukaryota PMID[15104514]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 2 mm 9599261
NPT20 Organism Candida albicans Candida albicans IZ = 2 mm 9599261
NPT1223 Organism Amorphotheca resinae Amorphotheca resinae IZ = 2 mm 20439614
NPT330 Organism Trichophyton mentagrophytes Trichophyton mentagrophytes IZ = 12 mm 20439614

  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 NPC91452 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
0.9813 High Similarity NPC244403
0.934 High Similarity NPC146096
0.9211 High Similarity NPC42644
0.8512 High Similarity NPC8058
0.84 Intermediate Similarity NPC139335
0.8306 Intermediate Similarity NPC246991
0.7895 Intermediate Similarity NPC131379
0.7874 Intermediate Similarity NPC185313
0.787 Intermediate Similarity NPC76938
0.7857 Intermediate Similarity NPC26576
0.7826 Intermediate Similarity NPC187958
0.7798 Intermediate Similarity NPC32714
0.7798 Intermediate Similarity NPC274678
0.7692 Intermediate Similarity NPC43411
0.7685 Intermediate Similarity NPC322888
0.7619 Intermediate Similarity NPC33402
0.7593 Intermediate Similarity NPC192
0.757 Intermediate Similarity NPC27974
0.7523 Intermediate Similarity NPC45040
0.7522 Intermediate Similarity NPC294741
0.75 Intermediate Similarity NPC32674
0.75 Intermediate Similarity NPC156313
0.7456 Intermediate Similarity NPC143659
0.7456 Intermediate Similarity NPC100340
0.7456 Intermediate Similarity NPC12221
0.7455 Intermediate Similarity NPC271440
0.7455 Intermediate Similarity NPC210497
0.7455 Intermediate Similarity NPC94139
0.7455 Intermediate Similarity NPC3358
0.7455 Intermediate Similarity NPC147284
0.7455 Intermediate Similarity NPC55903
0.7455 Intermediate Similarity NPC306884
0.7455 Intermediate Similarity NPC162314
0.7387 Intermediate Similarity NPC151715
0.7387 Intermediate Similarity NPC128062
0.7364 Intermediate Similarity NPC174048
0.736 Intermediate Similarity NPC67791
0.7345 Intermediate Similarity NPC225464
0.7328 Intermediate Similarity NPC327811
0.7328 Intermediate Similarity NPC471511
0.7328 Intermediate Similarity NPC241891
0.7328 Intermediate Similarity NPC323810
0.7328 Intermediate Similarity NPC254965
0.7328 Intermediate Similarity NPC30506
0.7328 Intermediate Similarity NPC238696
0.7328 Intermediate Similarity NPC102216
0.7321 Intermediate Similarity NPC26244
0.7293 Intermediate Similarity NPC76453
0.729 Intermediate Similarity NPC150837
0.7281 Intermediate Similarity NPC92730
0.7265 Intermediate Similarity NPC239291
0.7265 Intermediate Similarity NPC134829
0.7257 Intermediate Similarity NPC292730
0.7257 Intermediate Similarity NPC312132
0.7257 Intermediate Similarity NPC216520
0.7257 Intermediate Similarity NPC473388
0.7257 Intermediate Similarity NPC132271
0.7257 Intermediate Similarity NPC82664
0.7257 Intermediate Similarity NPC259512
0.7248 Intermediate Similarity NPC19680
0.7241 Intermediate Similarity NPC233827
0.7241 Intermediate Similarity NPC168393
0.7232 Intermediate Similarity NPC245187
0.7222 Intermediate Similarity NPC155393
0.7218 Intermediate Similarity NPC193334
0.7207 Intermediate Similarity NPC304541
0.7207 Intermediate Similarity NPC231150
0.7203 Intermediate Similarity NPC109691
0.7203 Intermediate Similarity NPC54765
0.7203 Intermediate Similarity NPC39664
0.7203 Intermediate Similarity NPC39097
0.7203 Intermediate Similarity NPC470700
0.7203 Intermediate Similarity NPC302681
0.7203 Intermediate Similarity NPC118286
0.72 Intermediate Similarity NPC15350
0.7193 Intermediate Similarity NPC474073
0.7193 Intermediate Similarity NPC79241
0.7193 Intermediate Similarity NPC6597
0.7193 Intermediate Similarity NPC291789
0.7192 Intermediate Similarity NPC56379
0.7182 Intermediate Similarity NPC258219
0.7182 Intermediate Similarity NPC242240
0.7182 Intermediate Similarity NPC318325
0.7182 Intermediate Similarity NPC123273
0.7168 Intermediate Similarity NPC222146
0.7156 Intermediate Similarity NPC407
0.7156 Intermediate Similarity NPC307235
0.7156 Intermediate Similarity NPC23167
0.7143 Intermediate Similarity NPC54844
0.713 Intermediate Similarity NPC78119
0.713 Intermediate Similarity NPC216468
0.713 Intermediate Similarity NPC132078
0.713 Intermediate Similarity NPC33675
0.713 Intermediate Similarity NPC51333
0.713 Intermediate Similarity NPC299762
0.713 Intermediate Similarity NPC175313
0.7119 Intermediate Similarity NPC246056
0.7117 Intermediate Similarity NPC312304
0.7105 Intermediate Similarity NPC202986
0.7094 Intermediate Similarity NPC168829
0.7091 Intermediate Similarity NPC113460
0.7091 Intermediate Similarity NPC25493
0.7083 Intermediate Similarity NPC95344
0.7083 Intermediate Similarity NPC75440
0.7083 Intermediate Similarity NPC174981
0.7083 Intermediate Similarity NPC11554
0.708 Intermediate Similarity NPC316301
0.708 Intermediate Similarity NPC152415
0.708 Intermediate Similarity NPC27323
0.7069 Intermediate Similarity NPC129373
0.7069 Intermediate Similarity NPC48730
0.7069 Intermediate Similarity NPC275053
0.7069 Intermediate Similarity NPC223393
0.7069 Intermediate Similarity NPC248396
0.7069 Intermediate Similarity NPC174911
0.7069 Intermediate Similarity NPC248573
0.7069 Intermediate Similarity NPC10588
0.7069 Intermediate Similarity NPC161571
0.7069 Intermediate Similarity NPC72729
0.7069 Intermediate Similarity NPC213730
0.7064 Intermediate Similarity NPC197783
0.7059 Intermediate Similarity NPC67250
0.7054 Intermediate Similarity NPC306074
0.7054 Intermediate Similarity NPC155908
0.7043 Intermediate Similarity NPC109955
0.7043 Intermediate Similarity NPC152097
0.7037 Intermediate Similarity NPC265146
0.7037 Intermediate Similarity NPC33756
0.7037 Intermediate Similarity NPC38459
0.7034 Intermediate Similarity NPC288411
0.7027 Intermediate Similarity NPC177420
0.7027 Intermediate Similarity NPC280347
0.7025 Intermediate Similarity NPC33728
0.7025 Intermediate Similarity NPC58865
0.7025 Intermediate Similarity NPC314187
0.7025 Intermediate Similarity NPC228343
0.7025 Intermediate Similarity NPC62258
0.7025 Intermediate Similarity NPC254833
0.7025 Intermediate Similarity NPC55617
0.7025 Intermediate Similarity NPC19808
0.7015 Intermediate Similarity NPC30390
0.7009 Intermediate Similarity NPC51015
0.7009 Intermediate Similarity NPC91461
0.7009 Intermediate Similarity NPC72947
0.7009 Intermediate Similarity NPC7686
0.7009 Intermediate Similarity NPC252105
0.7009 Intermediate Similarity NPC284011
0.7009 Intermediate Similarity NPC40258
0.7 Intermediate Similarity NPC320439
0.6991 Remote Similarity NPC29373
0.6983 Remote Similarity NPC260775
0.6975 Remote Similarity NPC117115
0.6975 Remote Similarity NPC292452
0.6975 Remote Similarity NPC138942
0.6972 Remote Similarity NPC286904
0.6972 Remote Similarity NPC248817
0.6967 Remote Similarity NPC226401
0.6967 Remote Similarity NPC79793
0.6967 Remote Similarity NPC120982
0.6967 Remote Similarity NPC147634
0.6967 Remote Similarity NPC174096
0.6964 Remote Similarity NPC300017
0.6964 Remote Similarity NPC55561
0.6949 Remote Similarity NPC135784
0.6949 Remote Similarity NPC53051
0.6949 Remote Similarity NPC168303
0.6949 Remote Similarity NPC108497
0.6949 Remote Similarity NPC94351
0.6949 Remote Similarity NPC302219
0.6949 Remote Similarity NPC235762
0.6949 Remote Similarity NPC106396
0.6949 Remote Similarity NPC313030
0.6949 Remote Similarity NPC222522
0.6949 Remote Similarity NPC471228
0.6949 Remote Similarity NPC146798
0.6949 Remote Similarity NPC249828
0.6949 Remote Similarity NPC71002
0.6949 Remote Similarity NPC242342
0.6949 Remote Similarity NPC85479
0.6949 Remote Similarity NPC24404
0.6942 Remote Similarity NPC233835
0.693 Remote Similarity NPC289769
0.6929 Remote Similarity NPC252901
0.6923 Remote Similarity NPC12931
0.6923 Remote Similarity NPC122175
0.6923 Remote Similarity NPC130756
0.6923 Remote Similarity NPC211885
0.6923 Remote Similarity NPC130103
0.6923 Remote Similarity NPC166761
0.6923 Remote Similarity NPC70677
0.6917 Remote Similarity NPC155072
0.6917 Remote Similarity NPC248904
0.6917 Remote Similarity NPC271274
0.6911 Remote Similarity NPC257430
0.6911 Remote Similarity NPC225679
0.6911 Remote Similarity NPC165770
0.6911 Remote Similarity NPC476632
0.6911 Remote Similarity NPC268032
0.6911 Remote Similarity NPC95716
0.6911 Remote Similarity NPC179002

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC91452 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
0.839 Intermediate Similarity NPD4589 Approved
0.8018 Intermediate Similarity NPD9500 Approved
0.7886 Intermediate Similarity NPD1157 Approved
0.7838 Intermediate Similarity NPD1616 Discontinued
0.7731 Intermediate Similarity NPD1476 Clinical (unspecified phase)
0.7685 Intermediate Similarity NPD9251 Approved
0.7321 Intermediate Similarity NPD844 Approved
0.7321 Intermediate Similarity NPD2859 Approved
0.7321 Intermediate Similarity NPD2860 Approved
0.7281 Intermediate Similarity NPD3020 Approved
0.7257 Intermediate Similarity NPD288 Approved
0.7232 Intermediate Similarity NPD2933 Approved
0.7232 Intermediate Similarity NPD2934 Approved
0.7143 Intermediate Similarity NPD2342 Discontinued
0.708 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD1242 Phase 1
0.7049 Intermediate Similarity NPD2499 Approved
0.7049 Intermediate Similarity NPD2500 Approved
0.7037 Intermediate Similarity NPD9073 Approved
0.7025 Intermediate Similarity NPD3022 Approved
0.7025 Intermediate Similarity NPD3021 Approved
0.6991 Remote Similarity NPD845 Approved
0.6985 Remote Similarity NPD1184 Approved
0.6966 Remote Similarity NPD2370 Clinical (unspecified phase)
0.6944 Remote Similarity NPD3364 Phase 3
0.694 Remote Similarity NPD2372 Approved
0.6885 Remote Similarity NPD1792 Phase 2
0.6881 Remote Similarity NPD111 Approved
0.688 Remote Similarity NPD911 Approved
0.6855 Remote Similarity NPD7635 Approved
0.6777 Remote Similarity NPD1444 Approved
0.6777 Remote Similarity NPD1445 Approved
0.6763 Remote Similarity NPD4538 Approved
0.6763 Remote Similarity NPD4536 Approved
0.6763 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6735 Remote Similarity NPD1972 Approved
0.6735 Remote Similarity NPD1973 Approved
0.6735 Remote Similarity NPD1969 Clinical (unspecified phase)
0.6729 Remote Similarity NPD914 Suspended
0.6724 Remote Similarity NPD1809 Phase 2
0.6721 Remote Similarity NPD9532 Phase 3
0.6714 Remote Similarity NPD5960 Phase 3
0.6714 Remote Similarity NPD5588 Approved
0.6643 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6641 Remote Similarity NPD915 Approved
0.6613 Remote Similarity NPD4750 Phase 3
0.6613 Remote Similarity NPD5451 Approved
0.6583 Remote Similarity NPD9722 Approved
0.6583 Remote Similarity NPD846 Approved
0.6583 Remote Similarity NPD940 Approved
0.6583 Remote Similarity NPD9721 Approved
0.6549 Remote Similarity NPD1501 Clinical (unspecified phase)
0.6544 Remote Similarity NPD454 Approved
0.6541 Remote Similarity NPD4878 Approved
0.6504 Remote Similarity NPD968 Approved
0.6489 Remote Similarity NPD4093 Discontinued
0.6483 Remote Similarity NPD4535 Phase 3
0.648 Remote Similarity NPD910 Approved
0.6479 Remote Similarity NPD6587 Approved
0.6479 Remote Similarity NPD6586 Approved
0.6466 Remote Similarity NPD3974 Phase 2
0.6439 Remote Similarity NPD2286 Discontinued
0.6434 Remote Similarity NPD6671 Approved
0.6429 Remote Similarity NPD1555 Discontinued
0.6423 Remote Similarity NPD6984 Approved
0.6417 Remote Similarity NPD3097 Clinical (unspecified phase)
0.6412 Remote Similarity NPD3091 Approved
0.641 Remote Similarity NPD3365 Discontinued
0.6406 Remote Similarity NPD2229 Approved
0.6406 Remote Similarity NPD2228 Approved
0.6406 Remote Similarity NPD2988 Approved
0.6406 Remote Similarity NPD2991 Approved
0.6406 Remote Similarity NPD2234 Approved
0.6396 Remote Similarity NPD1185 Approved
0.6395 Remote Similarity NPD5058 Phase 3
0.6393 Remote Similarity NPD1415 Approved
0.6385 Remote Similarity NPD694 Clinical (unspecified phase)
0.6378 Remote Similarity NPD228 Approved
0.6376 Remote Similarity NPD1159 Approved
0.6364 Remote Similarity NPD3028 Approved
0.6358 Remote Similarity NPD6056 Approved
0.6358 Remote Similarity NPD6057 Approved
0.6357 Remote Similarity NPD1793 Approved
0.6357 Remote Similarity NPD1791 Approved
0.6357 Remote Similarity NPD829 Discontinued
0.6351 Remote Similarity NPD7041 Phase 2
0.6351 Remote Similarity NPD7040 Clinical (unspecified phase)
0.6348 Remote Similarity NPD9249 Phase 1
0.6345 Remote Similarity NPD4534 Discontinued
0.6345 Remote Similarity NPD5958 Discontinued
0.6343 Remote Similarity NPD1201 Approved
0.6341 Remote Similarity NPD9610 Approved
0.6341 Remote Similarity NPD9608 Approved
0.6338 Remote Similarity NPD2989 Phase 2
0.6338 Remote Similarity NPD2986 Phase 2
0.633 Remote Similarity NPD1475 Approved
0.6328 Remote Similarity NPD9379 Approved
0.6328 Remote Similarity NPD9377 Approved
0.6321 Remote Similarity NPD9087 Approved
0.6316 Remote Similarity NPD3019 Approved
0.6316 Remote Similarity NPD4059 Approved
0.6316 Remote Similarity NPD2932 Approved
0.6316 Remote Similarity NPD5846 Approved
0.6316 Remote Similarity NPD6516 Phase 2
0.6316 Remote Similarity NPD1751 Approved
0.6296 Remote Similarity NPD9294 Approved
0.6288 Remote Similarity NPD2226 Clinical (unspecified phase)
0.6284 Remote Similarity NPD6815 Approved
0.625 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6231 Remote Similarity NPD9614 Approved
0.6231 Remote Similarity NPD9618 Approved
0.6231 Remote Similarity NPD497 Approved
0.6224 Remote Similarity NPD5212 Clinical (unspecified phase)
0.6222 Remote Similarity NPD5350 Clinical (unspecified phase)
0.6222 Remote Similarity NPD5351 Clinical (unspecified phase)
0.6222 Remote Similarity NPD3092 Approved
0.622 Remote Similarity NPD3303 Discontinued
0.6212 Remote Similarity NPD828 Approved
0.6198 Remote Similarity NPD9273 Approved
0.619 Remote Similarity NPD1416 Approved
0.6183 Remote Similarity NPD709 Approved
0.6165 Remote Similarity NPD4016 Approved
0.6165 Remote Similarity NPD5303 Approved
0.6165 Remote Similarity NPD5304 Approved
0.6159 Remote Similarity NPD4339 Clinical (unspecified phase)
0.6159 Remote Similarity NPD1470 Approved
0.6154 Remote Similarity NPD495 Approved
0.6154 Remote Similarity NPD7431 Approved
0.6154 Remote Similarity NPD5283 Phase 1
0.6154 Remote Similarity NPD496 Approved
0.6154 Remote Similarity NPD7430 Approved
0.6154 Remote Similarity NPD498 Approved
0.6148 Remote Similarity NPD1980 Approved
0.6148 Remote Similarity NPD1983 Approved
0.6148 Remote Similarity NPD1981 Approved
0.6136 Remote Similarity NPD405 Clinical (unspecified phase)
0.6136 Remote Similarity NPD7325 Clinical (unspecified phase)
0.6129 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6115 Remote Similarity NPD6584 Phase 3
0.6107 Remote Similarity NPD2354 Approved
0.6103 Remote Similarity NPD1610 Phase 2
0.6094 Remote Similarity NPD9380 Clinical (unspecified phase)
0.6093 Remote Similarity NPD1578 Phase 2
0.6091 Remote Similarity NPD9088 Approved
0.609 Remote Similarity NPD9613 Approved
0.609 Remote Similarity NPD1359 Approved
0.609 Remote Similarity NPD9616 Approved
0.609 Remote Similarity NPD9615 Approved
0.6087 Remote Similarity NPD5310 Approved
0.6087 Remote Similarity NPD1888 Phase 1
0.6087 Remote Similarity NPD5311 Approved
0.6074 Remote Similarity NPD5238 Clinical (unspecified phase)
0.6074 Remote Similarity NPD4594 Approved
0.6074 Remote Similarity NPD4593 Approved
0.6074 Remote Similarity NPD3095 Discontinued
0.6071 Remote Similarity NPD2861 Phase 2
0.6058 Remote Similarity NPD2233 Approved
0.6058 Remote Similarity NPD1608 Approved
0.6058 Remote Similarity NPD2232 Approved
0.6058 Remote Similarity NPD2230 Approved
0.6051 Remote Similarity NPD8438 Clinical (unspecified phase)
0.6047 Remote Similarity NPD9280 Clinical (unspecified phase)
0.6045 Remote Similarity NPD316 Approved
0.6045 Remote Similarity NPD1548 Phase 1
0.6045 Remote Similarity NPD7330 Discontinued
0.6043 Remote Similarity NPD3094 Phase 2
0.6043 Remote Similarity NPD987 Approved
0.6043 Remote Similarity NPD3055 Approved
0.6043 Remote Similarity NPD3053 Approved
0.6029 Remote Similarity NPD4879 Approved
0.6028 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6014 Remote Similarity NPD1755 Approved
0.6014 Remote Similarity NPD2808 Discontinued
0.6 Remote Similarity NPD2195 Approved
0.6 Remote Similarity NPD4658 Approved
0.6 Remote Similarity NPD2194 Approved
0.6 Remote Similarity NPD1855 Clinical (unspecified phase)
0.6 Remote Similarity NPD408 Approved
0.6 Remote Similarity NPD4656 Approved
0.6 Remote Similarity NPD6124 Clinical (unspecified phase)
0.6 Remote Similarity NPD1835 Phase 1
0.5986 Remote Similarity NPD5155 Approved
0.5986 Remote Similarity NPD4625 Phase 3
0.5986 Remote Similarity NPD1223 Clinical (unspecified phase)
0.5986 Remote Similarity NPD3027 Phase 3
0.5986 Remote Similarity NPD5156 Approved
0.5972 Remote Similarity NPD4452 Approved
0.5972 Remote Similarity NPD4453 Approved
0.5971 Remote Similarity NPD1283 Approved
0.5957 Remote Similarity NPD1530 Clinical (unspecified phase)
0.5957 Remote Similarity NPD5736 Approved
0.5957 Remote Similarity NPD3635 Approved
0.5957 Remote Similarity NPD3637 Approved
0.5957 Remote Similarity NPD3636 Approved
0.5956 Remote Similarity NPD9381 Approved
0.5956 Remote Similarity NPD9384 Approved
0.5952 Remote Similarity NPD9501 Approved
0.5952 Remote Similarity NPD1237 Approved
0.5952 Remote Similarity NPD9244 Approved

Structure

External Identifiers

PubChem CID   3013331
ChEMBL   CHEMBL448711
ZINC  

Physicochemical Properties

Molecular Weight:  266.03
ALogP:  1.1531
MLogP:  2.67
XLogP:  6.182
# Rotatable Bonds:  6
Polar Surface Area:  20.23
# H-Bond Aceptor:  0
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  17

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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