Natural Product: NPC146096

Natural Product ID:  NPC146096
Common Name:   2-Chloro-3-Hydroxybibenzyl
IUPAC Name:   2-chloro-3-(2-phenylethyl)phenol
Synonyms:  
Molecular Formula:   C14H13ClO
Standard InCHIKey:  CDUWONFPIPHTMX-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C14H13ClO/c15-14-12(7-4-8-13(14)16)10-9-11-5-2-1-3-6-11/h1-8,16H,9-10H2
Canonical SMILES:  Clc1c(cccc1O)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 25211145
NPT20 Organism Candida albicans Candida albicans IZ = 2 mm 25211145
NPT1223 Organism Amorphotheca resinae Amorphotheca resinae IZ = 0 mm 11844671
NPT330 Organism Trichophyton mentagrophytes Trichophyton mentagrophytes IZ = 3 mm 12877593

  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 NPC146096 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
0.934 High Similarity NPC91452
0.9167 High Similarity NPC244403
0.8772 High Similarity NPC42644
0.8431 Intermediate Similarity NPC76938
0.8403 Intermediate Similarity NPC8058
0.835 Intermediate Similarity NPC32714
0.835 Intermediate Similarity NPC274678
0.8333 Intermediate Similarity NPC26576
0.8198 Intermediate Similarity NPC43411
0.8197 Intermediate Similarity NPC246991
0.8137 Intermediate Similarity NPC192
0.8119 Intermediate Similarity NPC27974
0.8058 Intermediate Similarity NPC45040
0.8037 Intermediate Similarity NPC294741
0.8019 Intermediate Similarity NPC156313
0.8019 Intermediate Similarity NPC32674
0.8018 Intermediate Similarity NPC187958
0.8 Intermediate Similarity NPC139335
0.7981 Intermediate Similarity NPC162314
0.7981 Intermediate Similarity NPC3358
0.7981 Intermediate Similarity NPC147284
0.7981 Intermediate Similarity NPC210497
0.7981 Intermediate Similarity NPC271440
0.7981 Intermediate Similarity NPC306884
0.7981 Intermediate Similarity NPC55903
0.7981 Intermediate Similarity NPC94139
0.7963 Intermediate Similarity NPC100340
0.7963 Intermediate Similarity NPC143659
0.7963 Intermediate Similarity NPC12221
0.7934 Intermediate Similarity NPC33402
0.7905 Intermediate Similarity NPC151715
0.7905 Intermediate Similarity NPC128062
0.7903 Intermediate Similarity NPC185313
0.785 Intermediate Similarity NPC225464
0.783 Intermediate Similarity NPC26244
0.7822 Intermediate Similarity NPC150837
0.7818 Intermediate Similarity NPC102216
0.7818 Intermediate Similarity NPC241891
0.7818 Intermediate Similarity NPC471511
0.7818 Intermediate Similarity NPC323810
0.7818 Intermediate Similarity NPC254965
0.7818 Intermediate Similarity NPC30506
0.7818 Intermediate Similarity NPC327811
0.7778 Intermediate Similarity NPC92730
0.7767 Intermediate Similarity NPC19680
0.7757 Intermediate Similarity NPC259512
0.7757 Intermediate Similarity NPC82664
0.7757 Intermediate Similarity NPC473388
0.7757 Intermediate Similarity NPC132271
0.7757 Intermediate Similarity NPC292730
0.7757 Intermediate Similarity NPC312132
0.7757 Intermediate Similarity NPC216520
0.7748 Intermediate Similarity NPC239291
0.7748 Intermediate Similarity NPC134829
0.7745 Intermediate Similarity NPC155393
0.7736 Intermediate Similarity NPC245187
0.7727 Intermediate Similarity NPC233827
0.7727 Intermediate Similarity NPC168393
0.7714 Intermediate Similarity NPC231150
0.7714 Intermediate Similarity NPC304541
0.7692 Intermediate Similarity NPC318325
0.7692 Intermediate Similarity NPC258219
0.7692 Intermediate Similarity NPC242240
0.7692 Intermediate Similarity NPC123273
0.7685 Intermediate Similarity NPC79241
0.7685 Intermediate Similarity NPC291789
0.7685 Intermediate Similarity NPC6597
0.7685 Intermediate Similarity NPC474073
0.7679 Intermediate Similarity NPC109691
0.7679 Intermediate Similarity NPC302681
0.7679 Intermediate Similarity NPC39664
0.7679 Intermediate Similarity NPC54765
0.7679 Intermediate Similarity NPC39097
0.7679 Intermediate Similarity NPC118286
0.7679 Intermediate Similarity NPC470700
0.767 Intermediate Similarity NPC307235
0.767 Intermediate Similarity NPC23167
0.767 Intermediate Similarity NPC407
0.7667 Intermediate Similarity NPC67791
0.7664 Intermediate Similarity NPC222146
0.7658 Intermediate Similarity NPC238696
0.7647 Intermediate Similarity NPC175313
0.7619 Intermediate Similarity NPC312304
0.7615 Intermediate Similarity NPC132078
0.7615 Intermediate Similarity NPC78119
0.7615 Intermediate Similarity NPC216468
0.7615 Intermediate Similarity NPC51333
0.7615 Intermediate Similarity NPC33675
0.7615 Intermediate Similarity NPC299762
0.7611 Intermediate Similarity NPC54844
0.7596 Intermediate Similarity NPC113460
0.7596 Intermediate Similarity NPC25493
0.7593 Intermediate Similarity NPC202986
0.7589 Intermediate Similarity NPC246056
0.7573 Intermediate Similarity NPC197783
0.757 Intermediate Similarity NPC152415
0.757 Intermediate Similarity NPC27323
0.757 Intermediate Similarity NPC316301
0.7568 Intermediate Similarity NPC168829
0.7549 Intermediate Similarity NPC265146
0.7547 Intermediate Similarity NPC174048
0.7547 Intermediate Similarity NPC306074
0.7547 Intermediate Similarity NPC155908
0.7547 Intermediate Similarity NPC322888
0.7545 Intermediate Similarity NPC248573
0.7545 Intermediate Similarity NPC223393
0.7545 Intermediate Similarity NPC72729
0.7545 Intermediate Similarity NPC129373
0.7545 Intermediate Similarity NPC213730
0.7545 Intermediate Similarity NPC10588
0.7545 Intermediate Similarity NPC48730
0.7545 Intermediate Similarity NPC174911
0.7545 Intermediate Similarity NPC275053
0.7545 Intermediate Similarity NPC161571
0.7545 Intermediate Similarity NPC248396
0.7544 Intermediate Similarity NPC95344
0.7544 Intermediate Similarity NPC174981
0.7544 Intermediate Similarity NPC11554
0.7544 Intermediate Similarity NPC75440
0.7524 Intermediate Similarity NPC280347
0.7524 Intermediate Similarity NPC177420
0.7523 Intermediate Similarity NPC109955
0.7523 Intermediate Similarity NPC152097
0.7522 Intermediate Similarity NPC67250
0.75 Intermediate Similarity NPC15350
0.75 Intermediate Similarity NPC193334
0.75 Intermediate Similarity NPC288411
0.7478 Intermediate Similarity NPC228343
0.7478 Intermediate Similarity NPC62258
0.7478 Intermediate Similarity NPC55617
0.7478 Intermediate Similarity NPC33728
0.7478 Intermediate Similarity NPC58865
0.7478 Intermediate Similarity NPC19808
0.7478 Intermediate Similarity NPC314187
0.7478 Intermediate Similarity NPC254833
0.7477 Intermediate Similarity NPC284011
0.7477 Intermediate Similarity NPC7686
0.7477 Intermediate Similarity NPC40258
0.7477 Intermediate Similarity NPC252105
0.7477 Intermediate Similarity NPC72947
0.7477 Intermediate Similarity NPC29373
0.7477 Intermediate Similarity NPC91461
0.7476 Intermediate Similarity NPC286904
0.7476 Intermediate Similarity NPC248817
0.7456 Intermediate Similarity NPC320439
0.7455 Intermediate Similarity NPC260775
0.7453 Intermediate Similarity NPC55561
0.7453 Intermediate Similarity NPC300017
0.7434 Intermediate Similarity NPC292452
0.7434 Intermediate Similarity NPC138942
0.7434 Intermediate Similarity NPC117115
0.7414 Intermediate Similarity NPC120982
0.7414 Intermediate Similarity NPC226401
0.7414 Intermediate Similarity NPC79793
0.7414 Intermediate Similarity NPC147634
0.7414 Intermediate Similarity NPC174096
0.7411 Intermediate Similarity NPC146798
0.7411 Intermediate Similarity NPC85479
0.7411 Intermediate Similarity NPC471228
0.7411 Intermediate Similarity NPC71002
0.7411 Intermediate Similarity NPC53051
0.7411 Intermediate Similarity NPC313030
0.7411 Intermediate Similarity NPC168303
0.7411 Intermediate Similarity NPC242342
0.7411 Intermediate Similarity NPC135784
0.7411 Intermediate Similarity NPC106396
0.7411 Intermediate Similarity NPC24404
0.7411 Intermediate Similarity NPC235762
0.7411 Intermediate Similarity NPC222522
0.7411 Intermediate Similarity NPC302219
0.7411 Intermediate Similarity NPC94351
0.7411 Intermediate Similarity NPC249828
0.7411 Intermediate Similarity NPC108497
0.7391 Intermediate Similarity NPC233835
0.7388 Intermediate Similarity NPC131379
0.7387 Intermediate Similarity NPC130103
0.7387 Intermediate Similarity NPC12931
0.7387 Intermediate Similarity NPC70677
0.7387 Intermediate Similarity NPC130756
0.7387 Intermediate Similarity NPC166761
0.7387 Intermediate Similarity NPC211885
0.7383 Intermediate Similarity NPC204210
0.7379 Intermediate Similarity NPC38459
0.7379 Intermediate Similarity NPC33756
0.7379 Intermediate Similarity NPC124436
0.7368 Intermediate Similarity NPC248904
0.7368 Intermediate Similarity NPC271274
0.7368 Intermediate Similarity NPC155072
0.7364 Intermediate Similarity NPC77492
0.7364 Intermediate Similarity NPC475078
0.735 Intermediate Similarity NPC225679
0.735 Intermediate Similarity NPC179002
0.735 Intermediate Similarity NPC268032
0.735 Intermediate Similarity NPC257430
0.735 Intermediate Similarity NPC4493
0.735 Intermediate Similarity NPC187583
0.735 Intermediate Similarity NPC165770
0.735 Intermediate Similarity NPC476632
0.735 Intermediate Similarity NPC224527
0.735 Intermediate Similarity NPC95716

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC146096 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
0.8571 High Similarity NPD9500 Approved
0.8037 Intermediate Similarity NPD1616 Discontinued
0.7966 Intermediate Similarity NPD4589 Approved
0.7913 Intermediate Similarity NPD1476 Clinical (unspecified phase)
0.783 Intermediate Similarity NPD844 Approved
0.783 Intermediate Similarity NPD2859 Approved
0.783 Intermediate Similarity NPD2860 Approved
0.7778 Intermediate Similarity NPD3020 Approved
0.7757 Intermediate Similarity NPD288 Approved
0.7736 Intermediate Similarity NPD2934 Approved
0.7736 Intermediate Similarity NPD2933 Approved
0.7623 Intermediate Similarity NPD1157 Approved
0.757 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7545 Intermediate Similarity NPD1242 Phase 1
0.7545 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7478 Intermediate Similarity NPD3022 Approved
0.7478 Intermediate Similarity NPD3021 Approved
0.7456 Intermediate Similarity NPD2342 Discontinued
0.7379 Intermediate Similarity NPD111 Approved
0.7379 Intermediate Similarity NPD9073 Approved
0.7328 Intermediate Similarity NPD1792 Phase 2
0.7315 Intermediate Similarity NPD845 Approved
0.7217 Intermediate Similarity NPD1444 Approved
0.7217 Intermediate Similarity NPD1445 Approved
0.7203 Intermediate Similarity NPD2499 Approved
0.7203 Intermediate Similarity NPD2500 Approved
0.7143 Intermediate Similarity NPD7635 Approved
0.7092 Intermediate Similarity NPD1973 Approved
0.7092 Intermediate Similarity NPD1972 Approved
0.7092 Intermediate Similarity NPD1969 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD9251 Approved
0.7034 Intermediate Similarity NPD4750 Phase 3
0.7034 Intermediate Similarity NPD5451 Approved
0.7027 Intermediate Similarity NPD1809 Phase 2
0.7018 Intermediate Similarity NPD940 Approved
0.7018 Intermediate Similarity NPD846 Approved
0.695 Remote Similarity NPD3364 Phase 3
0.6947 Remote Similarity NPD2372 Approved
0.6923 Remote Similarity NPD968 Approved
0.6889 Remote Similarity NPD4978 Clinical (unspecified phase)
0.688 Remote Similarity NPD4093 Discontinued
0.6866 Remote Similarity NPD1184 Approved
0.6864 Remote Similarity NPD9532 Phase 3
0.6853 Remote Similarity NPD2370 Clinical (unspecified phase)
0.6829 Remote Similarity NPD6671 Approved
0.6825 Remote Similarity NPD2286 Discontinued
0.6803 Remote Similarity NPD2229 Approved
0.6803 Remote Similarity NPD2228 Approved
0.6803 Remote Similarity NPD2234 Approved
0.68 Remote Similarity NPD9087 Approved
0.68 Remote Similarity NPD3091 Approved
0.6794 Remote Similarity NPD454 Approved
0.6783 Remote Similarity NPD3028 Approved
0.6777 Remote Similarity NPD228 Approved
0.6765 Remote Similarity NPD4538 Approved
0.6765 Remote Similarity NPD4536 Approved
0.6765 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6752 Remote Similarity NPD9610 Approved
0.6752 Remote Similarity NPD9608 Approved
0.6748 Remote Similarity NPD1793 Approved
0.6748 Remote Similarity NPD1791 Approved
0.6721 Remote Similarity NPD9379 Approved
0.6721 Remote Similarity NPD9377 Approved
0.6719 Remote Similarity NPD1201 Approved
0.6715 Remote Similarity NPD5960 Phase 3
0.6715 Remote Similarity NPD5588 Approved
0.6693 Remote Similarity NPD6516 Phase 2
0.6693 Remote Similarity NPD2932 Approved
0.6693 Remote Similarity NPD1751 Approved
0.6693 Remote Similarity NPD5846 Approved
0.6693 Remote Similarity NPD4059 Approved
0.6693 Remote Similarity NPD3019 Approved
0.6667 Remote Similarity NPD2226 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1555 Discontinued
0.6615 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6613 Remote Similarity NPD911 Approved
0.6613 Remote Similarity NPD497 Approved
0.6613 Remote Similarity NPD9614 Approved
0.6613 Remote Similarity NPD9618 Approved
0.6609 Remote Similarity NPD9273 Approved
0.6602 Remote Similarity NPD9294 Approved
0.6593 Remote Similarity NPD829 Discontinued
0.6589 Remote Similarity NPD5351 Clinical (unspecified phase)
0.6589 Remote Similarity NPD5350 Clinical (unspecified phase)
0.6589 Remote Similarity NPD3092 Approved
0.6573 Remote Similarity NPD7040 Clinical (unspecified phase)
0.6573 Remote Similarity NPD7041 Phase 2
0.6569 Remote Similarity NPD2989 Phase 2
0.6569 Remote Similarity NPD2986 Phase 2
0.656 Remote Similarity NPD709 Approved
0.6547 Remote Similarity NPD1501 Clinical (unspecified phase)
0.6538 Remote Similarity NPD9088 Approved
0.6535 Remote Similarity NPD5303 Approved
0.6535 Remote Similarity NPD5304 Approved
0.6532 Remote Similarity NPD495 Approved
0.6532 Remote Similarity NPD496 Approved
0.6532 Remote Similarity NPD5283 Phase 1
0.6532 Remote Similarity NPD498 Approved
0.6515 Remote Similarity NPD4339 Clinical (unspecified phase)
0.6515 Remote Similarity NPD1470 Approved
0.6512 Remote Similarity NPD1981 Approved
0.6512 Remote Similarity NPD915 Approved
0.6512 Remote Similarity NPD1983 Approved
0.6512 Remote Similarity NPD1980 Approved
0.6508 Remote Similarity NPD694 Clinical (unspecified phase)
0.6508 Remote Similarity NPD405 Clinical (unspecified phase)
0.6486 Remote Similarity NPD9249 Phase 1
0.6479 Remote Similarity NPD4535 Phase 3
0.6475 Remote Similarity NPD9380 Clinical (unspecified phase)
0.6466 Remote Similarity NPD6584 Phase 3
0.6462 Remote Similarity NPD1610 Phase 2
0.6457 Remote Similarity NPD9615 Approved
0.6457 Remote Similarity NPD9613 Approved
0.6457 Remote Similarity NPD9616 Approved
0.6439 Remote Similarity NPD5310 Approved
0.6439 Remote Similarity NPD5311 Approved
0.6434 Remote Similarity NPD5238 Clinical (unspecified phase)
0.6434 Remote Similarity NPD3095 Discontinued
0.6423 Remote Similarity NPD9280 Clinical (unspecified phase)
0.6418 Remote Similarity NPD2861 Phase 2
0.6412 Remote Similarity NPD2233 Approved
0.6412 Remote Similarity NPD2232 Approved
0.6412 Remote Similarity NPD1608 Approved
0.6412 Remote Similarity NPD4878 Approved
0.6412 Remote Similarity NPD2230 Approved
0.6406 Remote Similarity NPD1548 Phase 1
0.6406 Remote Similarity NPD316 Approved
0.6405 Remote Similarity NPD3365 Discontinued
0.6391 Remote Similarity NPD3094 Phase 2
0.6391 Remote Similarity NPD3055 Approved
0.6391 Remote Similarity NPD3053 Approved
0.6389 Remote Similarity NPD5058 Phase 3
0.6387 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6378 Remote Similarity NPD7325 Clinical (unspecified phase)
0.637 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6364 Remote Similarity NPD1755 Approved
0.6343 Remote Similarity NPD2194 Approved
0.6343 Remote Similarity NPD2195 Approved
0.6338 Remote Similarity NPD4534 Discontinued
0.6338 Remote Similarity NPD5958 Discontinued
0.6336 Remote Similarity NPD3974 Phase 2
0.6328 Remote Similarity NPD828 Approved
0.6324 Remote Similarity NPD5156 Approved
0.6324 Remote Similarity NPD1223 Clinical (unspecified phase)
0.6324 Remote Similarity NPD4625 Phase 3
0.6324 Remote Similarity NPD5155 Approved
0.6324 Remote Similarity NPD3027 Phase 3
0.6316 Remote Similarity NPD1283 Approved
0.6308 Remote Similarity NPD9381 Approved
0.6308 Remote Similarity NPD9384 Approved
0.6303 Remote Similarity NPD9722 Approved
0.6303 Remote Similarity NPD9721 Approved
0.6301 Remote Similarity NPD1578 Phase 2
0.6299 Remote Similarity NPD256 Approved
0.6299 Remote Similarity NPD255 Approved
0.6296 Remote Similarity NPD6984 Approved
0.6296 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6296 Remote Similarity NPD5736 Approved
0.6296 Remote Similarity NPD3637 Approved
0.6296 Remote Similarity NPD3636 Approved
0.6296 Remote Similarity NPD9089 Approved
0.6296 Remote Similarity NPD3635 Approved
0.6288 Remote Similarity NPD2235 Phase 2
0.6288 Remote Similarity NPD2337 Clinical (unspecified phase)
0.6288 Remote Similarity NPD2231 Phase 2
0.6279 Remote Similarity NPD7330 Discontinued
0.6277 Remote Similarity NPD2028 Clinical (unspecified phase)
0.6276 Remote Similarity NPD6815 Approved
0.627 Remote Similarity NPD2988 Approved
0.627 Remote Similarity NPD2991 Approved
0.6269 Remote Similarity NPD1164 Approved
0.6269 Remote Similarity NPD987 Approved
0.626 Remote Similarity NPD2684 Approved
0.625 Remote Similarity NPD4658 Approved
0.625 Remote Similarity NPD3595 Approved
0.625 Remote Similarity NPD4656 Approved
0.625 Remote Similarity NPD2605 Approved
0.625 Remote Similarity NPD1415 Approved
0.625 Remote Similarity NPD2606 Approved
0.625 Remote Similarity NPD3594 Approved
0.6242 Remote Similarity NPD6057 Approved
0.6242 Remote Similarity NPD6056 Approved
0.6241 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6241 Remote Similarity NPD6543 Approved
0.6241 Remote Similarity NPD6540 Phase 3
0.6241 Remote Similarity NPD6582 Phase 2
0.6241 Remote Similarity NPD4659 Approved
0.6241 Remote Similarity NPD1669 Approved
0.6241 Remote Similarity NPD6583 Phase 3
0.6241 Remote Similarity NPD6539 Approved
0.6241 Remote Similarity NPD4749 Approved
0.6241 Remote Similarity NPD6542 Approved
0.624 Remote Similarity NPD6124 Clinical (unspecified phase)
0.6231 Remote Similarity NPD1651 Approved
0.6224 Remote Similarity NPD2808 Discontinued
0.622 Remote Similarity NPD475 Phase 2
0.6212 Remote Similarity NPD1535 Discovery
0.621 Remote Similarity NPD910 Approved
0.6207 Remote Similarity NPD1835 Phase 1
0.6204 Remote Similarity NPD9093 Approved

Structure

External Identifiers

PubChem CID   3013332
ChEMBL   CHEMBL451469
ZINC  

Physicochemical Properties

Molecular Weight:  232.07
ALogP:  0.4088
MLogP:  2.78
XLogP:  6.086
# Rotatable Bonds:  5
Polar Surface Area:  20.23
# H-Bond Aceptor:  0
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  16

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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