Natural Product: NPC277277

Natural Product ID:  NPC277277
Common Name:   1-Naphthalen-2-Ylethanone
IUPAC Name:   1-naphthalen-2-ylethanone
Synonyms:  
Molecular Formula:   C12H10O
Standard InCHIKey:  XSAYZAUNJMRRIR-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3
Canonical SMILES:  CC(=O)c1ccc2c(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
NPO25682 Acorus calamus Species Acoraceae Eukaryota TM-MC*
NPO5681 Acorus gramineus Species Acoraceae Eukaryota TM-MC*
NPO8666 Acorus tatarinowii Species Acoraceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 19331.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61644.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68589.6 nM PubChem BioAssay data set
NPT603 Individual Protein Olfactory receptor 5K1 Homo sapiens Inhibition >= 50 % Patent: WO2013171535 A3

  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 NPC277277 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
0.9524 High Similarity NPC307
0.9524 High Similarity NPC160339
0.9432 High Similarity NPC289883
0.9419 High Similarity NPC418308
0.931 High Similarity NPC173413
0.9302 High Similarity NPC267262
0.9231 High Similarity NPC49994
0.9205 High Similarity NPC133461
0.9205 High Similarity NPC103346
0.9111 High Similarity NPC472880
0.9101 High Similarity NPC153885
0.9101 High Similarity NPC155232
0.9101 High Similarity NPC323420
0.9091 High Similarity NPC19256
0.908 High Similarity NPC157778
0.9011 High Similarity NPC185208
0.9011 High Similarity NPC219573
0.9 High Similarity NPC238219
0.8977 High Similarity NPC325709
0.8977 High Similarity NPC113307
0.8966 High Similarity NPC69057
0.8966 High Similarity NPC43945
0.8929 High Similarity NPC12936
0.8929 High Similarity NPC145053
0.8929 High Similarity NPC273033
0.8913 High Similarity NPC239185
0.8901 High Similarity NPC260233
0.8889 High Similarity NPC59677
0.8864 High Similarity NPC153308
0.883 High Similarity NPC472879
0.8817 High Similarity NPC134882
0.881 High Similarity NPC71664
0.8778 High Similarity NPC284475
0.8721 High Similarity NPC273758
0.871 High Similarity NPC265220
0.8681 High Similarity NPC188844
0.8681 High Similarity NPC1682
0.8636 High Similarity NPC164526
0.8632 High Similarity NPC109514
0.8632 High Similarity NPC476993
0.8617 High Similarity NPC75724
0.8588 High Similarity NPC190567
0.8571 High Similarity NPC285470
0.8571 High Similarity NPC2785
0.8571 High Similarity NPC36342
0.8506 High Similarity NPC215008
0.8471 Intermediate Similarity NPC300205
0.8452 Intermediate Similarity NPC245966
0.8372 Intermediate Similarity NPC164086
0.8372 Intermediate Similarity NPC17408
0.8372 Intermediate Similarity NPC285716
0.8372 Intermediate Similarity NPC95868
0.8352 Intermediate Similarity NPC298115
0.8315 Intermediate Similarity NPC252067
0.8295 Intermediate Similarity NPC197581
0.8295 Intermediate Similarity NPC39600
0.8265 Intermediate Similarity NPC247976
0.8256 Intermediate Similarity NPC151405
0.8256 Intermediate Similarity NPC139901
0.814 Intermediate Similarity NPC103488
0.8119 Intermediate Similarity NPC203732
0.81 Intermediate Similarity NPC172483
0.81 Intermediate Similarity NPC134120
0.81 Intermediate Similarity NPC474910
0.8068 Intermediate Similarity NPC100039
0.8039 Intermediate Similarity NPC470252
0.8023 Intermediate Similarity NPC9796
0.802 Intermediate Similarity NPC100767
0.8 Intermediate Similarity NPC67377
0.7981 Intermediate Similarity NPC186128
0.7976 Intermediate Similarity NPC285679
0.79 Intermediate Similarity NPC329556
0.79 Intermediate Similarity NPC274443
0.79 Intermediate Similarity NPC472691
0.79 Intermediate Similarity NPC471829
0.79 Intermediate Similarity NPC474866
0.79 Intermediate Similarity NPC475939
0.7885 Intermediate Similarity NPC265513
0.7872 Intermediate Similarity NPC58872
0.7865 Intermediate Similarity NPC73978
0.7864 Intermediate Similarity NPC318327
0.7857 Intermediate Similarity NPC135433
0.7857 Intermediate Similarity NPC158028
0.7857 Intermediate Similarity NPC87099
0.7857 Intermediate Similarity NPC74458
0.7857 Intermediate Similarity NPC280135
0.7857 Intermediate Similarity NPC39799
0.7857 Intermediate Similarity NPC226999
0.7857 Intermediate Similarity NPC193578
0.7857 Intermediate Similarity NPC1008
0.7841 Intermediate Similarity NPC272260
0.7822 Intermediate Similarity NPC329282
0.781 Intermediate Similarity NPC66208
0.781 Intermediate Similarity NPC280789
0.78 Intermediate Similarity NPC244427
0.78 Intermediate Similarity NPC222390
0.7789 Intermediate Similarity NPC125226
0.7736 Intermediate Similarity NPC470253
0.7736 Intermediate Similarity NPC93287
0.7714 Intermediate Similarity NPC474057
0.7692 Intermediate Similarity NPC149263
0.7692 Intermediate Similarity NPC324624
0.767 Intermediate Similarity NPC472700
0.767 Intermediate Similarity NPC472699
0.7664 Intermediate Similarity NPC326664
0.7664 Intermediate Similarity NPC196673
0.7664 Intermediate Similarity NPC471721
0.7642 Intermediate Similarity NPC292834
0.7636 Intermediate Similarity NPC318173
0.7619 Intermediate Similarity NPC246822
0.7619 Intermediate Similarity NPC139416
0.7619 Intermediate Similarity NPC213570
0.7619 Intermediate Similarity NPC98880
0.7614 Intermediate Similarity NPC179726
0.7596 Intermediate Similarity NPC472696
0.7596 Intermediate Similarity NPC472695
0.7596 Intermediate Similarity NPC472701
0.7596 Intermediate Similarity NPC472683
0.7593 Intermediate Similarity NPC215419
0.7586 Intermediate Similarity NPC307195
0.7573 Intermediate Similarity NPC105899
0.757 Intermediate Similarity NPC143768
0.7556 Intermediate Similarity NPC157055
0.7556 Intermediate Similarity NPC477703
0.7551 Intermediate Similarity NPC172925
0.7529 Intermediate Similarity NPC95289
0.7528 Intermediate Similarity NPC76455
0.7528 Intermediate Similarity NPC137847
0.7527 Intermediate Similarity NPC123476
0.7525 Intermediate Similarity NPC112552
0.7524 Intermediate Similarity NPC192577
0.75 Intermediate Similarity NPC303967
0.75 Intermediate Similarity NPC185763
0.75 Intermediate Similarity NPC110420
0.75 Intermediate Similarity NPC67585
0.75 Intermediate Similarity NPC311343
0.75 Intermediate Similarity NPC37914
0.75 Intermediate Similarity NPC83409
0.75 Intermediate Similarity NPC26224
0.75 Intermediate Similarity NPC78500
0.75 Intermediate Similarity NPC232958
0.7474 Intermediate Similarity NPC473345
0.7471 Intermediate Similarity NPC258492
0.7471 Intermediate Similarity NPC96835
0.7455 Intermediate Similarity NPC158157
0.7434 Intermediate Similarity NPC144547
0.7431 Intermediate Similarity NPC217111
0.7431 Intermediate Similarity NPC186933
0.7429 Intermediate Similarity NPC112903
0.7416 Intermediate Similarity NPC329318
0.7416 Intermediate Similarity NPC298023
0.7407 Intermediate Similarity NPC13784
0.74 Intermediate Similarity NPC156021
0.74 Intermediate Similarity NPC226041
0.7391 Intermediate Similarity NPC230068
0.7383 Intermediate Similarity NPC137315
0.7383 Intermediate Similarity NPC210089
0.7381 Intermediate Similarity NPC267443
0.7381 Intermediate Similarity NPC6107
0.7379 Intermediate Similarity NPC255676
0.7356 Intermediate Similarity NPC54269
0.7353 Intermediate Similarity NPC225079
0.7345 Intermediate Similarity NPC988
0.7345 Intermediate Similarity NPC289432
0.7326 Intermediate Similarity NPC251490
0.7326 Intermediate Similarity NPC72670
0.7315 Intermediate Similarity NPC218855
0.7315 Intermediate Similarity NPC79496
0.73 Intermediate Similarity NPC12695
0.7297 Intermediate Similarity NPC469843
0.7282 Intermediate Similarity NPC25458
0.7273 Intermediate Similarity NPC291070
0.7273 Intermediate Similarity NPC474095
0.7273 Intermediate Similarity NPC228936
0.7273 Intermediate Similarity NPC246757
0.7273 Intermediate Similarity NPC208075
0.7262 Intermediate Similarity NPC113837
0.7262 Intermediate Similarity NPC289915
0.7257 Intermediate Similarity NPC202015
0.7255 Intermediate Similarity NPC221825
0.7253 Intermediate Similarity NPC159661
0.7248 Intermediate Similarity NPC471481
0.7241 Intermediate Similarity NPC318067
0.7238 Intermediate Similarity NPC167336
0.7238 Intermediate Similarity NPC471186
0.7234 Intermediate Similarity NPC267704
0.7232 Intermediate Similarity NPC323440
0.7232 Intermediate Similarity NPC222968
0.7232 Intermediate Similarity NPC228318
0.7232 Intermediate Similarity NPC80605
0.7228 Intermediate Similarity NPC240042
0.7222 Intermediate Similarity NPC291799
0.7216 Intermediate Similarity NPC231591
0.7207 Intermediate Similarity NPC62138
0.7207 Intermediate Similarity NPC135730
0.7184 Intermediate Similarity NPC128248
0.7184 Intermediate Similarity NPC136810
0.7184 Intermediate Similarity NPC133809
0.7182 Intermediate Similarity NPC234637
0.7182 Intermediate Similarity NPC130591

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC277277 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
0.8966 High Similarity NPD650 Approved
0.8929 High Similarity NPD942 Approved
0.8913 High Similarity NPD3495 Discontinued
0.8778 High Similarity NPD7609 Phase 3
0.8681 High Similarity NPD7631 Approved
0.8478 Intermediate Similarity NPD1508 Approved
0.8372 Intermediate Similarity NPD1507 Clinical (unspecified phase)
0.8211 Intermediate Similarity NPD1843 Approved
0.798 Intermediate Similarity NPD1932 Approved
0.79 Intermediate Similarity NPD1929 Approved
0.79 Intermediate Similarity NPD1930 Approved
0.79 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7742 Intermediate Similarity NPD506 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD2329 Discontinued
0.76 Intermediate Similarity NPD2066 Phase 3
0.7551 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.7451 Intermediate Similarity NPD2648 Phase 3
0.7451 Intermediate Similarity NPD2193 Phase 2
0.7449 Intermediate Similarity NPD1563 Approved
0.7431 Intermediate Similarity NPD5951 Approved
0.7423 Intermediate Similarity NPD1239 Approved
0.7345 Intermediate Similarity NPD5836 Discontinued
0.73 Intermediate Similarity NPD1989 Approved
0.7282 Intermediate Similarity NPD2196 Discontinued
0.7228 Intermediate Similarity NPD1565 Approved
0.7228 Intermediate Similarity NPD1566 Phase 3
0.7228 Intermediate Similarity NPD1564 Approved
0.72 Intermediate Similarity NPD4094 Approved
0.7188 Intermediate Similarity NPD1087 Approved
0.7156 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1237 Approved
0.71 Intermediate Similarity NPD1202 Approved
0.71 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD7610 Discontinued
0.7075 Intermediate Similarity NPD2192 Approved
0.7075 Intermediate Similarity NPD2197 Approved
0.7075 Intermediate Similarity NPD1677 Discontinued
0.7059 Intermediate Similarity NPD1099 Approved
0.7059 Intermediate Similarity NPD4655 Approved
0.7059 Intermediate Similarity NPD4657 Approved
0.7059 Intermediate Similarity NPD1100 Approved
0.7043 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD6048 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD1693 Approved
0.703 Intermediate Similarity NPD6049 Phase 2
0.7024 Intermediate Similarity NPD675 Discontinued
0.7018 Intermediate Similarity NPD7009 Phase 2
0.697 Remote Similarity NPD1089 Approved
0.697 Remote Similarity NPD1090 Approved
0.697 Remote Similarity NPD1086 Approved
0.6952 Remote Similarity NPD2171 Approved
0.6947 Remote Similarity NPD3971 Phase 1
0.6897 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6887 Remote Similarity NPD3357 Discontinued
0.6881 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6869 Remote Similarity NPD800 Approved
0.6838 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6838 Remote Similarity NPD4879 Approved
0.6832 Remote Similarity NPD1088 Approved
0.6822 Remote Similarity NPD164 Approved
0.6822 Remote Similarity NPD2577 Clinical (unspecified phase)
0.6818 Remote Similarity NPD664 Approved
0.6818 Remote Similarity NPD1317 Discontinued
0.6814 Remote Similarity NPD2508 Discontinued
0.6792 Remote Similarity NPD813 Approved
0.6792 Remote Similarity NPD6027 Approved
0.6792 Remote Similarity NPD6024 Approved
0.6774 Remote Similarity NPD227 Approved
0.6774 Remote Similarity NPD225 Approved
0.6762 Remote Similarity NPD1238 Approved
0.6757 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6752 Remote Similarity NPD2345 Approved
0.6748 Remote Similarity NPD7008 Discontinued
0.6735 Remote Similarity NPD9257 Approved
0.6735 Remote Similarity NPD9259 Approved
0.6702 Remote Similarity NPD9490 Approved
0.6667 Remote Similarity NPD5909 Discontinued
0.6667 Remote Similarity NPD1651 Approved
0.6639 Remote Similarity NPD1201 Approved
0.6637 Remote Similarity NPD6858 Approved
0.6637 Remote Similarity NPD7094 Approved
0.6633 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6613 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6609 Remote Similarity NPD3317 Approved
0.6598 Remote Similarity NPD9491 Approved
0.6583 Remote Similarity NPD4878 Approved
0.6583 Remote Similarity NPD3972 Approved
0.6577 Remote Similarity NPD2182 Approved
0.6562 Remote Similarity NPD226 Approved
0.6557 Remote Similarity NPD1470 Approved
0.6525 Remote Similarity NPD1245 Approved
0.65 Remote Similarity NPD1281 Approved
0.65 Remote Similarity NPD6287 Discontinued
0.6496 Remote Similarity NPD997 Clinical (unspecified phase)
0.648 Remote Similarity NPD2754 Discontinued
0.6475 Remote Similarity NPD6330 Clinical (unspecified phase)
0.6475 Remote Similarity NPD1482 Clinical (unspecified phase)
0.6475 Remote Similarity NPD1876 Approved
0.6471 Remote Similarity NPD3672 Approved
0.6471 Remote Similarity NPD9256 Approved
0.6471 Remote Similarity NPD9258 Approved
0.6471 Remote Similarity NPD3673 Approved
0.6452 Remote Similarity NPD9716 Approved
0.6422 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6393 Remote Similarity NPD182 Clinical (unspecified phase)
0.6379 Remote Similarity NPD1246 Approved
0.6378 Remote Similarity NPD1874 Clinical (unspecified phase)
0.6373 Remote Similarity NPD5347 Phase 2
0.6373 Remote Similarity NPD5346 Phase 2
0.6364 Remote Similarity NPD4544 Approved
0.6356 Remote Similarity NPD6065 Approved
0.6341 Remote Similarity NPD1283 Approved
0.6337 Remote Similarity NPD4793 Discontinued
0.6321 Remote Similarity NPD3093 Approved
0.6311 Remote Similarity NPD3356 Approved
0.6311 Remote Similarity NPD3355 Approved
0.6293 Remote Similarity NPD7077 Approved
0.6293 Remote Similarity NPD7076 Approved
0.629 Remote Similarity NPD1164 Approved
0.6289 Remote Similarity NPD3903 Approved
0.6289 Remote Similarity NPD3979 Approved
0.6289 Remote Similarity NPD3981 Approved
0.6289 Remote Similarity NPD3904 Approved
0.6288 Remote Similarity NPD2346 Discontinued
0.6281 Remote Similarity NPD3836 Clinical (unspecified phase)
0.6271 Remote Similarity NPD405 Clinical (unspecified phase)
0.6264 Remote Similarity NPD9497 Clinical (unspecified phase)
0.626 Remote Similarity NPD1509 Clinical (unspecified phase)
0.626 Remote Similarity NPD3547 Approved
0.626 Remote Similarity NPD3549 Approved
0.626 Remote Similarity NPD3550 Clinical (unspecified phase)
0.625 Remote Similarity NPD7961 Discontinued
0.625 Remote Similarity NPD1007 Discontinued
0.625 Remote Similarity NPD4196 Clinical (unspecified phase)
0.624 Remote Similarity NPD4980 Approved
0.6239 Remote Similarity NPD5630 Phase 1
0.6239 Remote Similarity NPD3135 Clinical (unspecified phase)
0.6226 Remote Similarity NPD9260 Approved
0.6222 Remote Similarity NPD8239 Clinical (unspecified phase)
0.6212 Remote Similarity NPD5408 Approved
0.6212 Remote Similarity NPD5405 Approved
0.6212 Remote Similarity NPD5406 Approved
0.6212 Remote Similarity NPD5404 Approved
0.621 Remote Similarity NPD1574 Approved
0.6204 Remote Similarity NPD466 Approved
0.6182 Remote Similarity NPD4803 Discontinued
0.6172 Remote Similarity NPD2846 Clinical (unspecified phase)
0.6172 Remote Similarity NPD5422 Clinical (unspecified phase)
0.6168 Remote Similarity NPD5206 Clinical (unspecified phase)
0.616 Remote Similarity NPD1593 Approved
0.616 Remote Similarity NPD5653 Discontinued
0.6148 Remote Similarity NPD7003 Approved
0.6147 Remote Similarity NPD7798 Approved
0.6147 Remote Similarity NPD742 Approved
0.6129 Remote Similarity NPD5157 Phase 1
0.6129 Remote Similarity NPD5159 Phase 2
0.6129 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6126 Remote Similarity NPD6647 Phase 2
0.6124 Remote Similarity NPD7713 Phase 3
0.6116 Remote Similarity NPD1217 Clinical (unspecified phase)
0.6116 Remote Similarity NPD3025 Approved
0.6116 Remote Similarity NPD3024 Approved
0.6111 Remote Similarity NPD2798 Approved
0.6111 Remote Similarity NPD5598 Approved
0.6111 Remote Similarity NPD2487 Clinical (unspecified phase)
0.6111 Remote Similarity NPD5597 Approved
0.6102 Remote Similarity NPD1075 Approved
0.6102 Remote Similarity NPD1073 Approved
0.6102 Remote Similarity NPD1074 Approved
0.6102 Remote Similarity NPD690 Clinical (unspecified phase)
0.6102 Remote Similarity NPD2319 Discontinued
0.61 Remote Similarity NPD4635 Approved
0.6098 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6094 Remote Similarity NPD6966 Discovery
0.6087 Remote Similarity NPD1673 Approved
0.608 Remote Similarity NPD2056 Discontinued
0.6078 Remote Similarity NPD3099 Discontinued
0.6068 Remote Similarity NPD1279 Clinical (unspecified phase)
0.6066 Remote Similarity NPD1727 Approved
0.6066 Remote Similarity NPD3019 Approved
0.6066 Remote Similarity NPD2932 Approved
0.6061 Remote Similarity NPD4705 Clinical (unspecified phase)
0.6055 Remote Similarity NPD5926 Approved
0.6053 Remote Similarity NPD2342 Discontinued
0.6048 Remote Similarity NPD3880 Clinical (unspecified phase)
0.6045 Remote Similarity NPD1471 Phase 3
0.604 Remote Similarity NPD3429 Approved
0.604 Remote Similarity NPD3427 Approved
0.6038 Remote Similarity NPD4408 Approved
0.6038 Remote Similarity NPD4407 Approved
0.6038 Remote Similarity NPD4405 Approved
0.6032 Remote Similarity NPD3244 Pre-registration
0.6032 Remote Similarity NPD3245 Phase 3
0.6019 Remote Similarity NPD2895 Discontinued
0.6019 Remote Similarity NPD1282 Approved
0.6018 Remote Similarity NPD5048 Discontinued
0.6018 Remote Similarity NPD1018 Approved
0.6017 Remote Similarity NPD1175 Approved
0.6017 Remote Similarity NPD1280 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   7122
ChEMBL   CHEMBL3183700
ZINC  

Physicochemical Properties

Molecular Weight:  170.07
ALogP:  -0.2539
MLogP:  2.67
XLogP:  4.807
# Rotatable Bonds:  2
Polar Surface Area:  17.07
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  13

Download Data

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