Natural Product: NPC103346

Natural Product ID:  NPC103346
Common Name:   2-Naphthaldehyde
IUPAC Name:   naphthalene-2-carbaldehyde
Synonyms:  
Molecular Formula:   C11H8O
Standard InCHIKey:  PJKVFARRVXDXAD-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H
Canonical SMILES:  O=Cc1ccc2c(c1)cccc2
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
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO24480 Diospyros ebenum Species Ebenaceae Eukaryota TCM_Taiwan*
NPO24480 Diospyros ebenum Species Ebenaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT450 Organism Meloidogyne incognita Meloidogyne incognita EC100 > 75 ug/ml 23379671
NPT450 Organism Meloidogyne incognita Meloidogyne incognita EC50 = 13 ug/ml 23379671
NPT2 Others Unspecified Activity = 64 ug/ml 24499135
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 128 ug/ml 24499135
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC >= 64 ug/ml 24499135

  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 NPC103346 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
0.9765 High Similarity NPC325709
0.9419 High Similarity NPC153308
0.9205 High Similarity NPC277277
0.9186 High Similarity NPC164526
0.8876 High Similarity NPC418308
0.8851 High Similarity NPC252067
0.8837 High Similarity NPC197581
0.8837 High Similarity NPC39600
0.8764 High Similarity NPC267262
0.875 High Similarity NPC160339
0.875 High Similarity NPC307
0.8696 High Similarity NPC289883
0.8605 High Similarity NPC100039
0.8602 High Similarity NPC472880
0.8571 High Similarity NPC173413
0.8571 High Similarity NPC19256
0.8526 High Similarity NPC49994
0.8478 Intermediate Similarity NPC133461
0.8462 Intermediate Similarity NPC113307
0.8391 Intermediate Similarity NPC273033
0.8391 Intermediate Similarity NPC12936
0.8387 Intermediate Similarity NPC155232
0.8387 Intermediate Similarity NPC323420
0.8387 Intermediate Similarity NPC153885
0.837 Intermediate Similarity NPC58872
0.8352 Intermediate Similarity NPC157778
0.8351 Intermediate Similarity NPC472879
0.8316 Intermediate Similarity NPC185208
0.8316 Intermediate Similarity NPC219573
0.8298 Intermediate Similarity NPC238219
0.828 Intermediate Similarity NPC125226
0.8276 Intermediate Similarity NPC71664
0.8242 Intermediate Similarity NPC69057
0.8242 Intermediate Similarity NPC43945
0.8235 Intermediate Similarity NPC78500
0.8229 Intermediate Similarity NPC239185
0.8211 Intermediate Similarity NPC260233
0.8202 Intermediate Similarity NPC273758
0.8191 Intermediate Similarity NPC59677
0.8182 Intermediate Similarity NPC145053
0.8182 Intermediate Similarity NPC73978
0.8144 Intermediate Similarity NPC134882
0.8137 Intermediate Similarity NPC470252
0.8085 Intermediate Similarity NPC284475
0.8068 Intermediate Similarity NPC157055
0.8046 Intermediate Similarity NPC137847
0.8046 Intermediate Similarity NPC76455
0.8041 Intermediate Similarity NPC265220
0.8 Intermediate Similarity NPC208075
0.8 Intermediate Similarity NPC1682
0.8 Intermediate Similarity NPC215008
0.8 Intermediate Similarity NPC188844
0.798 Intermediate Similarity NPC109514
0.798 Intermediate Similarity NPC476993
0.7959 Intermediate Similarity NPC75724
0.7931 Intermediate Similarity NPC245966
0.7931 Intermediate Similarity NPC298023
0.7931 Intermediate Similarity NPC329318
0.7889 Intermediate Similarity NPC230068
0.7882 Intermediate Similarity NPC271437
0.7865 Intermediate Similarity NPC190567
0.7865 Intermediate Similarity NPC95868
0.7841 Intermediate Similarity NPC285470
0.7841 Intermediate Similarity NPC2785
0.7841 Intermediate Similarity NPC36342
0.7788 Intermediate Similarity NPC318327
0.7753 Intermediate Similarity NPC151405
0.7753 Intermediate Similarity NPC300205
0.7753 Intermediate Similarity NPC139901
0.7692 Intermediate Similarity NPC203732
0.7684 Intermediate Similarity NPC298115
0.767 Intermediate Similarity NPC134120
0.7667 Intermediate Similarity NPC285716
0.7667 Intermediate Similarity NPC164086
0.7667 Intermediate Similarity NPC17408
0.7647 Intermediate Similarity NPC247976
0.7642 Intermediate Similarity NPC265513
0.7624 Intermediate Similarity NPC473325
0.7593 Intermediate Similarity NPC67377
0.7593 Intermediate Similarity NPC196673
0.757 Intermediate Similarity NPC186128
0.757 Intermediate Similarity NPC79496
0.757 Intermediate Similarity NPC66208
0.7558 Intermediate Similarity NPC280135
0.7558 Intermediate Similarity NPC158028
0.7558 Intermediate Similarity NPC193578
0.7558 Intermediate Similarity NPC1008
0.7558 Intermediate Similarity NPC87099
0.7558 Intermediate Similarity NPC39799
0.7558 Intermediate Similarity NPC135433
0.7558 Intermediate Similarity NPC226999
0.7558 Intermediate Similarity NPC326200
0.7529 Intermediate Similarity NPC235059
0.7529 Intermediate Similarity NPC16190
0.7529 Intermediate Similarity NPC169222
0.7528 Intermediate Similarity NPC9796
0.75 Intermediate Similarity NPC474910
0.75 Intermediate Similarity NPC470253
0.75 Intermediate Similarity NPC172483
0.7477 Intermediate Similarity NPC167504
0.7475 Intermediate Similarity NPC172925
0.7444 Intermediate Similarity NPC103488
0.7429 Intermediate Similarity NPC100767
0.7419 Intermediate Similarity NPC149263
0.7411 Intermediate Similarity NPC318173
0.7407 Intermediate Similarity NPC280789
0.7386 Intermediate Similarity NPC96835
0.7386 Intermediate Similarity NPC258492
0.7364 Intermediate Similarity NPC215419
0.7363 Intermediate Similarity NPC272260
0.7333 Intermediate Similarity NPC105899
0.7327 Intermediate Similarity NPC226041
0.7326 Intermediate Similarity NPC213570
0.7326 Intermediate Similarity NPC139416
0.7326 Intermediate Similarity NPC246822
0.7308 Intermediate Similarity NPC274443
0.7308 Intermediate Similarity NPC475939
0.7308 Intermediate Similarity NPC474866
0.7308 Intermediate Similarity NPC471829
0.7308 Intermediate Similarity NPC329556
0.7308 Intermediate Similarity NPC255676
0.7308 Intermediate Similarity NPC472691
0.7303 Intermediate Similarity NPC307195
0.7273 Intermediate Similarity NPC326664
0.7273 Intermediate Similarity NPC285679
0.7264 Intermediate Similarity NPC83409
0.7264 Intermediate Similarity NPC185763
0.7245 Intermediate Similarity NPC26224
0.7241 Intermediate Similarity NPC72670
0.7241 Intermediate Similarity NPC251490
0.7238 Intermediate Similarity NPC329282
0.7234 Intermediate Similarity NPC324624
0.7217 Intermediate Similarity NPC144547
0.7212 Intermediate Similarity NPC244427
0.7212 Intermediate Similarity NPC222390
0.7207 Intermediate Similarity NPC217111
0.7196 Intermediate Similarity NPC112903
0.7184 Intermediate Similarity NPC221825
0.7182 Intermediate Similarity NPC93287
0.7182 Intermediate Similarity NPC13784
0.7168 Intermediate Similarity NPC228318
0.7159 Intermediate Similarity NPC74458
0.7156 Intermediate Similarity NPC137315
0.7156 Intermediate Similarity NPC474057
0.7156 Intermediate Similarity NPC210089
0.7143 Intermediate Similarity NPC179726
0.713 Intermediate Similarity NPC289432
0.713 Intermediate Similarity NPC988
0.7117 Intermediate Similarity NPC471721
0.7115 Intermediate Similarity NPC42211
0.7115 Intermediate Similarity NPC112552
0.7103 Intermediate Similarity NPC472700
0.7103 Intermediate Similarity NPC472699
0.7097 Intermediate Similarity NPC477703
0.7093 Intermediate Similarity NPC267443
0.7093 Intermediate Similarity NPC6107
0.7091 Intermediate Similarity NPC292834
0.7083 Intermediate Similarity NPC123476
0.708 Intermediate Similarity NPC158157
0.7079 Intermediate Similarity NPC54269
0.7079 Intermediate Similarity NPC1901
0.7075 Intermediate Similarity NPC249067
0.7071 Intermediate Similarity NPC303967
0.7071 Intermediate Similarity NPC67585
0.7071 Intermediate Similarity NPC110420
0.7065 Intermediate Similarity NPC66270
0.7065 Intermediate Similarity NPC245896
0.7059 Intermediate Similarity NPC291066
0.7054 Intermediate Similarity NPC186933
0.7054 Intermediate Similarity NPC228936
0.7054 Intermediate Similarity NPC474095
0.7048 Intermediate Similarity NPC188895
0.7043 Intermediate Similarity NPC202015
0.7037 Intermediate Similarity NPC472683
0.7037 Intermediate Similarity NPC472696
0.7037 Intermediate Similarity NPC472701
0.7037 Intermediate Similarity NPC472695
0.7037 Intermediate Similarity NPC211439
0.7034 Intermediate Similarity NPC318067
0.703 Intermediate Similarity NPC261181
0.7027 Intermediate Similarity NPC143768
0.7019 Intermediate Similarity NPC118343
0.7018 Intermediate Similarity NPC80605
0.7018 Intermediate Similarity NPC323440
0.7018 Intermediate Similarity NPC222968
0.7009 Intermediate Similarity NPC471186
0.6991 Remote Similarity NPC62138
0.6991 Remote Similarity NPC135730
0.699 Remote Similarity NPC156021
0.6989 Remote Similarity NPC159661
0.6983 Remote Similarity NPC232958
0.6981 Remote Similarity NPC60679
0.6979 Remote Similarity NPC267704
0.6977 Remote Similarity NPC113837
0.6977 Remote Similarity NPC289915
0.6972 Remote Similarity NPC192577
0.697 Remote Similarity NPC231591
0.697 Remote Similarity NPC9822
0.6964 Remote Similarity NPC241851
0.6952 Remote Similarity NPC136810

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC103346 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
0.8391 Intermediate Similarity NPD942 Approved
0.8242 Intermediate Similarity NPD650 Approved
0.8229 Intermediate Similarity NPD3495 Discontinued
0.8085 Intermediate Similarity NPD7609 Phase 3
0.8 Intermediate Similarity NPD1508 Approved
0.8 Intermediate Similarity NPD7631 Approved
0.7865 Intermediate Similarity NPD1507 Clinical (unspecified phase)
0.7755 Intermediate Similarity NPD1843 Approved
0.7549 Intermediate Similarity NPD1932 Approved
0.7477 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7475 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.74 Intermediate Similarity NPD1989 Approved
0.7347 Intermediate Similarity NPD1239 Approved
0.7308 Intermediate Similarity NPD1929 Approved
0.7308 Intermediate Similarity NPD1930 Approved
0.7308 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD5951 Approved
0.72 Intermediate Similarity NPD1563 Approved
0.713 Intermediate Similarity NPD2329 Discontinued
0.7113 Intermediate Similarity NPD506 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD1237 Approved
0.703 Intermediate Similarity NPD1202 Approved
0.7019 Intermediate Similarity NPD2066 Phase 3
0.7019 Intermediate Similarity NPD1238 Approved
0.699 Remote Similarity NPD1566 Phase 3
0.699 Remote Similarity NPD1564 Approved
0.699 Remote Similarity NPD1565 Approved
0.6983 Remote Similarity NPD5836 Discontinued
0.6941 Remote Similarity NPD675 Discontinued
0.6939 Remote Similarity NPD1087 Approved
0.6887 Remote Similarity NPD2648 Phase 3
0.6887 Remote Similarity NPD2193 Phase 2
0.6838 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6796 Remote Similarity NPD6049 Phase 2
0.6796 Remote Similarity NPD6048 Clinical (unspecified phase)
0.6759 Remote Similarity NPD164 Approved
0.6733 Remote Similarity NPD1086 Approved
0.6733 Remote Similarity NPD1089 Approved
0.6733 Remote Similarity NPD1090 Approved
0.6729 Remote Similarity NPD2196 Discontinued
0.6702 Remote Similarity NPD225 Approved
0.6702 Remote Similarity NPD227 Approved
0.6701 Remote Similarity NPD3971 Phase 1
0.6696 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6695 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6694 Remote Similarity NPD7008 Discontinued
0.6667 Remote Similarity NPD9259 Approved
0.6667 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2182 Approved
0.6667 Remote Similarity NPD9257 Approved
0.6639 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6637 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6635 Remote Similarity NPD4094 Approved
0.6634 Remote Similarity NPD800 Approved
0.6632 Remote Similarity NPD9490 Approved
0.6609 Remote Similarity NPD2508 Discontinued
0.6602 Remote Similarity NPD1088 Approved
0.6581 Remote Similarity NPD7610 Discontinued
0.6574 Remote Similarity NPD813 Approved
0.6569 Remote Similarity NPD3672 Approved
0.6569 Remote Similarity NPD3673 Approved
0.656 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6545 Remote Similarity NPD2197 Approved
0.6545 Remote Similarity NPD1677 Discontinued
0.6545 Remote Similarity NPD2192 Approved
0.6538 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6531 Remote Similarity NPD9491 Approved
0.6525 Remote Similarity NPD7009 Phase 2
0.6509 Remote Similarity NPD1100 Approved
0.6509 Remote Similarity NPD1099 Approved
0.6509 Remote Similarity NPD4657 Approved
0.6509 Remote Similarity NPD4655 Approved
0.65 Remote Similarity NPD4879 Approved
0.6495 Remote Similarity NPD226 Approved
0.6476 Remote Similarity NPD1693 Approved
0.646 Remote Similarity NPD664 Approved
0.6455 Remote Similarity NPD2577 Clinical (unspecified phase)
0.6435 Remote Similarity NPD6858 Approved
0.6435 Remote Similarity NPD7094 Approved
0.6423 Remote Similarity NPD1482 Clinical (unspecified phase)
0.6422 Remote Similarity NPD2171 Approved
0.641 Remote Similarity NPD3317 Approved
0.6408 Remote Similarity NPD9258 Approved
0.6408 Remote Similarity NPD9256 Approved
0.64 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6383 Remote Similarity NPD9716 Approved
0.6364 Remote Similarity NPD3357 Discontinued
0.6364 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6333 Remote Similarity NPD1651 Approved
0.6316 Remote Similarity NPD1317 Discontinued
0.6311 Remote Similarity NPD1201 Approved
0.6311 Remote Similarity NPD1281 Approved
0.6306 Remote Similarity NPD5909 Discontinued
0.6303 Remote Similarity NPD6065 Approved
0.6281 Remote Similarity NPD2345 Approved
0.6275 Remote Similarity NPD4793 Discontinued
0.6273 Remote Similarity NPD6024 Approved
0.6273 Remote Similarity NPD6027 Approved
0.626 Remote Similarity NPD3972 Approved
0.626 Remote Similarity NPD4878 Approved
0.624 Remote Similarity NPD1470 Approved
0.6239 Remote Similarity NPD7798 Approved
0.621 Remote Similarity NPD182 Clinical (unspecified phase)
0.621 Remote Similarity NPD3549 Approved
0.621 Remote Similarity NPD3547 Approved
0.621 Remote Similarity NPD3550 Clinical (unspecified phase)
0.6196 Remote Similarity NPD9497 Clinical (unspecified phase)
0.6179 Remote Similarity NPD6287 Discontinued
0.6168 Remote Similarity NPD9260 Approved
0.6167 Remote Similarity NPD997 Clinical (unspecified phase)
0.616 Remote Similarity NPD1283 Approved
0.616 Remote Similarity NPD1876 Approved
0.6154 Remote Similarity NPD5346 Phase 2
0.6154 Remote Similarity NPD5347 Phase 2
0.6147 Remote Similarity NPD5926 Approved
0.6139 Remote Similarity NPD4544 Approved
0.6136 Remote Similarity NPD4705 Clinical (unspecified phase)
0.6124 Remote Similarity NPD2846 Clinical (unspecified phase)
0.6111 Remote Similarity NPD3093 Approved
0.6111 Remote Similarity NPD5206 Clinical (unspecified phase)
0.6111 Remote Similarity NPD1164 Approved
0.6077 Remote Similarity NPD7961 Discontinued
0.6066 Remote Similarity NPD1245 Approved
0.6063 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6061 Remote Similarity NPD3979 Approved
0.6061 Remote Similarity NPD3904 Approved
0.6061 Remote Similarity NPD3981 Approved
0.6061 Remote Similarity NPD3903 Approved
0.6055 Remote Similarity NPD2487 Clinical (unspecified phase)
0.6048 Remote Similarity NPD5618 Discontinued
0.6048 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6047 Remote Similarity NPD2754 Discontinued
0.6045 Remote Similarity NPD5408 Approved
0.6045 Remote Similarity NPD5405 Approved
0.6045 Remote Similarity NPD5404 Approved
0.6045 Remote Similarity NPD5406 Approved
0.6036 Remote Similarity NPD3135 Clinical (unspecified phase)
0.6036 Remote Similarity NPD5630 Phase 1
0.6034 Remote Similarity NPD3646 Clinical (unspecified phase)
0.6032 Remote Similarity NPD6330 Clinical (unspecified phase)
0.6017 Remote Similarity NPD1279 Clinical (unspecified phase)
0.6 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6 Remote Similarity NPD466 Approved
0.6 Remote Similarity NPD3880 Clinical (unspecified phase)
0.6 Remote Similarity NPD9495 Approved
0.5985 Remote Similarity NPD7003 Approved
0.5984 Remote Similarity NPD5653 Discontinued
0.5984 Remote Similarity NPD3244 Pre-registration
0.5984 Remote Similarity NPD3245 Phase 3
0.5982 Remote Similarity NPD4803 Discontinued
0.5966 Remote Similarity NPD1175 Approved
0.5965 Remote Similarity NPD5048 Discontinued
0.5962 Remote Similarity NPD1282 Approved
0.5954 Remote Similarity NPD7713 Phase 3
0.5954 Remote Similarity NPD1874 Clinical (unspecified phase)
0.5952 Remote Similarity NPD5159 Phase 2
0.5952 Remote Similarity NPD5158 Clinical (unspecified phase)
0.5952 Remote Similarity NPD5157 Phase 1
0.595 Remote Similarity NPD405 Clinical (unspecified phase)
0.5946 Remote Similarity NPD742 Approved
0.5938 Remote Similarity NPD4980 Approved
0.5935 Remote Similarity NPD1217 Clinical (unspecified phase)
0.5935 Remote Similarity NPD5981 Approved
0.5932 Remote Similarity NPD9508 Approved
0.5929 Remote Similarity NPD6647 Phase 2
0.5929 Remote Similarity NPD7422 Clinical (unspecified phase)
0.5923 Remote Similarity NPD6966 Discovery
0.5917 Remote Similarity NPD1246 Approved
0.5909 Remote Similarity NPD5597 Approved
0.5909 Remote Similarity NPD5598 Approved
0.5909 Remote Similarity NPD2979 Phase 3
0.5906 Remote Similarity NPD1574 Approved
0.5897 Remote Similarity NPD1752 Approved
0.5897 Remote Similarity NPD1756 Approved
0.5896 Remote Similarity NPD7541 Clinical (unspecified phase)
0.5882 Remote Similarity NPD2346 Discontinued
0.5882 Remote Similarity NPD4635 Approved
0.5882 Remote Similarity NPD423 Phase 3
0.5878 Remote Similarity NPD5422 Clinical (unspecified phase)
0.5873 Remote Similarity NPD3355 Approved
0.5873 Remote Similarity NPD3356 Approved
0.5865 Remote Similarity NPD3099 Discontinued
0.5862 Remote Similarity NPD2342 Discontinued
0.5859 Remote Similarity NPD1593 Approved
0.5857 Remote Similarity NPD8165 Discontinued
0.5856 Remote Similarity NPD253 Approved
0.5856 Remote Similarity NPD5832 Phase 3
0.5852 Remote Similarity NPD1509 Clinical (unspecified phase)
0.5851 Remote Similarity NPD1673 Approved
0.5841 Remote Similarity NPD4321 Approved
0.584 Remote Similarity NPD3881 Discontinued
0.584 Remote Similarity NPD3836 Clinical (unspecified phase)
0.584 Remote Similarity NPD1889 Phase 1
0.584 Remote Similarity NPD2956 Clinical (unspecified phase)
0.5833 Remote Similarity NPD1280 Clinical (unspecified phase)
0.5833 Remote Similarity NPD6010 Discontinued
0.5833 Remote Similarity NPD4869 Clinical (unspecified phase)
0.5833 Remote Similarity NPD4408 Approved
0.5833 Remote Similarity NPD7077 Approved
0.5833 Remote Similarity NPD7076 Approved

Structure

External Identifiers

PubChem CID   6201
ChEMBL   CHEMBL2289234
ZINC  

Physicochemical Properties

Molecular Weight:  156.06
ALogP:  -0.1924
MLogP:  2.56
XLogP:  4.956
# Rotatable Bonds:  1
Polar Surface Area:  17.07
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  12

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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