Natural Product: NPC203732

Natural Product ID:  NPC203732
Common Name:   2-Methoxyphenalen-1-One
IUPAC Name:   2-methoxyphenalen-1-one
Synonyms:  
Molecular Formula:   C14H10O2
Standard InCHIKey:  FMZHCYXNNGLTLF-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C14H10O2/c1-16-12-8-10-6-2-4-9-5-3-7-11(13(9)10)14(12)15/h2-8H,1H3
Canonical SMILES:  COC1=Cc2cccc3c2c(C1=O)ccc3
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
NPO5290.1 Musa acuminata Under-species NA NA PMID[17428093]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 19.3 ppm 17190444

  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 NPC203732 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
0.9429 High Similarity NPC67377
0.9216 High Similarity NPC134120
0.901 High Similarity NPC112552
0.8889 High Similarity NPC326664
0.88 High Similarity NPC12695
0.8785 High Similarity NPC137315
0.8774 High Similarity NPC192577
0.8704 High Similarity NPC186128
0.8586 High Similarity NPC476484
0.8545 High Similarity NPC241851
0.8529 High Similarity NPC103048
0.8505 High Similarity NPC470391
0.8496 Intermediate Similarity NPC318173
0.8491 Intermediate Similarity NPC172483
0.8476 Intermediate Similarity NPC274443
0.8468 Intermediate Similarity NPC470764
0.8447 Intermediate Similarity NPC145052
0.844 Intermediate Similarity NPC291799
0.8384 Intermediate Similarity NPC418308
0.8381 Intermediate Similarity NPC244427
0.8381 Intermediate Similarity NPC222390
0.8288 Intermediate Similarity NPC143768
0.8276 Intermediate Similarity NPC144547
0.825 Intermediate Similarity NPC478165
0.825 Intermediate Similarity NPC478162
0.822 Intermediate Similarity NPC318067
0.8198 Intermediate Similarity NPC292834
0.819 Intermediate Similarity NPC988
0.819 Intermediate Similarity NPC476042
0.819 Intermediate Similarity NPC289432
0.819 Intermediate Similarity NPC232958
0.8173 Intermediate Similarity NPC156021
0.8142 Intermediate Similarity NPC474408
0.8131 Intermediate Similarity NPC329556
0.8125 Intermediate Similarity NPC13784
0.8119 Intermediate Similarity NPC110420
0.8119 Intermediate Similarity NPC303967
0.8119 Intermediate Similarity NPC67585
0.8119 Intermediate Similarity NPC277277
0.8095 Intermediate Similarity NPC49994
0.8087 Intermediate Similarity NPC323440
0.8087 Intermediate Similarity NPC80605
0.8087 Intermediate Similarity NPC222968
0.8073 Intermediate Similarity NPC100767
0.807 Intermediate Similarity NPC62138
0.807 Intermediate Similarity NPC135730
0.8058 Intermediate Similarity NPC289883
0.8049 Intermediate Similarity NPC27659
0.8034 Intermediate Similarity NPC105709
0.8 Intermediate Similarity NPC469843
0.7983 Intermediate Similarity NPC65627
0.7982 Intermediate Similarity NPC228936
0.7981 Intermediate Similarity NPC472880
0.7963 Intermediate Similarity NPC247976
0.7941 Intermediate Similarity NPC173413
0.7941 Intermediate Similarity NPC19256
0.7921 Intermediate Similarity NPC157778
0.7921 Intermediate Similarity NPC267262
0.7917 Intermediate Similarity NPC328107
0.7895 Intermediate Similarity NPC196075
0.7895 Intermediate Similarity NPC196673
0.7885 Intermediate Similarity NPC34243
0.7876 Intermediate Similarity NPC79496
0.7876 Intermediate Similarity NPC212415
0.7876 Intermediate Similarity NPC280789
0.7864 Intermediate Similarity NPC133461
0.7843 Intermediate Similarity NPC325709
0.783 Intermediate Similarity NPC239185
0.7826 Intermediate Similarity NPC474095
0.7822 Intermediate Similarity NPC43945
0.781 Intermediate Similarity NPC260233
0.781 Intermediate Similarity NPC172925
0.7807 Intermediate Similarity NPC470253
0.7805 Intermediate Similarity NPC428300
0.7788 Intermediate Similarity NPC153885
0.7788 Intermediate Similarity NPC210089
0.7788 Intermediate Similarity NPC155232
0.7788 Intermediate Similarity NPC265513
0.7788 Intermediate Similarity NPC474057
0.7768 Intermediate Similarity NPC318327
0.7757 Intermediate Similarity NPC134882
0.7739 Intermediate Similarity NPC477411
0.7731 Intermediate Similarity NPC238861
0.7731 Intermediate Similarity NPC77000
0.7727 Intermediate Similarity NPC249067
0.7723 Intermediate Similarity NPC307
0.7723 Intermediate Similarity NPC160339
0.7719 Intermediate Similarity NPC66208
0.7714 Intermediate Similarity NPC238219
0.7705 Intermediate Similarity NPC164014
0.7705 Intermediate Similarity NPC295664
0.7692 Intermediate Similarity NPC103346
0.7692 Intermediate Similarity NPC284475
0.7686 Intermediate Similarity NPC164947
0.7679 Intermediate Similarity NPC470007
0.767 Intermediate Similarity NPC113307
0.7664 Intermediate Similarity NPC265220
0.7658 Intermediate Similarity NPC209632
0.7647 Intermediate Similarity NPC204784
0.7647 Intermediate Similarity NPC476645
0.7642 Intermediate Similarity NPC236405
0.7636 Intermediate Similarity NPC255676
0.7627 Intermediate Similarity NPC61651
0.7623 Intermediate Similarity NPC135062
0.7619 Intermediate Similarity NPC188844
0.7619 Intermediate Similarity NPC1682
0.7619 Intermediate Similarity NPC59677
0.7615 Intermediate Similarity NPC472879
0.7615 Intermediate Similarity NPC186647
0.7615 Intermediate Similarity NPC476993
0.7615 Intermediate Similarity NPC264022
0.7615 Intermediate Similarity NPC109514
0.7607 Intermediate Similarity NPC226093
0.7607 Intermediate Similarity NPC260886
0.76 Intermediate Similarity NPC215008
0.76 Intermediate Similarity NPC273758
0.7593 Intermediate Similarity NPC75724
0.7589 Intermediate Similarity NPC83409
0.7589 Intermediate Similarity NPC185763
0.7586 Intermediate Similarity NPC471721
0.7581 Intermediate Similarity NPC81135
0.7576 Intermediate Similarity NPC273033
0.7576 Intermediate Similarity NPC12936
0.757 Intermediate Similarity NPC219573
0.757 Intermediate Similarity NPC185208
0.7568 Intermediate Similarity NPC329282
0.7568 Intermediate Similarity NPC114594
0.7565 Intermediate Similarity NPC218855
0.7542 Intermediate Similarity NPC158157
0.7524 Intermediate Similarity NPC110704
0.7522 Intermediate Similarity NPC211439
0.7522 Intermediate Similarity NPC112903
0.7521 Intermediate Similarity NPC215419
0.7521 Intermediate Similarity NPC472981
0.75 Intermediate Similarity NPC105899
0.75 Intermediate Similarity NPC469547
0.75 Intermediate Similarity NPC93287
0.75 Intermediate Similarity NPC183103
0.75 Intermediate Similarity NPC471186
0.748 Intermediate Similarity NPC51079
0.7479 Intermediate Similarity NPC268930
0.7479 Intermediate Similarity NPC228318
0.7478 Intermediate Similarity NPC474157
0.7477 Intermediate Similarity NPC60679
0.7476 Intermediate Similarity NPC69057
0.7475 Intermediate Similarity NPC71664
0.7456 Intermediate Similarity NPC269023
0.7456 Intermediate Similarity NPC99846
0.7453 Intermediate Similarity NPC323420
0.744 Intermediate Similarity NPC177925
0.7438 Intermediate Similarity NPC473243
0.7436 Intermediate Similarity NPC130591
0.7436 Intermediate Similarity NPC234637
0.7434 Intermediate Similarity NPC37914
0.7434 Intermediate Similarity NPC30594
0.7434 Intermediate Similarity NPC37622
0.7419 Intermediate Similarity NPC474766
0.7414 Intermediate Similarity NPC471189
0.7404 Intermediate Similarity NPC153308
0.7402 Intermediate Similarity NPC57552
0.7402 Intermediate Similarity NPC471832
0.7395 Intermediate Similarity NPC28951
0.7395 Intermediate Similarity NPC325646
0.7391 Intermediate Similarity NPC273837
0.7387 Intermediate Similarity NPC320891
0.7385 Intermediate Similarity NPC23894
0.7385 Intermediate Similarity NPC474659
0.7374 Intermediate Similarity NPC300205
0.7373 Intermediate Similarity NPC186933
0.7373 Intermediate Similarity NPC93181
0.7364 Intermediate Similarity NPC221825
0.7355 Intermediate Similarity NPC202015
0.735 Intermediate Similarity NPC471481
0.735 Intermediate Similarity NPC272524
0.7344 Intermediate Similarity NPC198305
0.7339 Intermediate Similarity NPC85511
0.7339 Intermediate Similarity NPC226041
0.7339 Intermediate Similarity NPC325740
0.7333 Intermediate Similarity NPC231591
0.7333 Intermediate Similarity NPC471553
0.7328 Intermediate Similarity NPC167504
0.7323 Intermediate Similarity NPC237225
0.7323 Intermediate Similarity NPC96024
0.7308 Intermediate Similarity NPC470406
0.7304 Intermediate Similarity NPC83628
0.7304 Intermediate Similarity NPC470252
0.7304 Intermediate Similarity NPC265407
0.7302 Intermediate Similarity NPC51037
0.73 Intermediate Similarity NPC164086
0.73 Intermediate Similarity NPC190567
0.7297 Intermediate Similarity NPC42211
0.7295 Intermediate Similarity NPC476225
0.7288 Intermediate Similarity NPC308744
0.728 Intermediate Similarity NPC142956
0.7279 Intermediate Similarity NPC472840
0.7279 Intermediate Similarity NPC478164
0.7273 Intermediate Similarity NPC285470
0.7273 Intermediate Similarity NPC229242
0.7273 Intermediate Similarity NPC2785
0.7273 Intermediate Similarity NPC36342

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC203732 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
0.8131 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.8131 Intermediate Similarity NPD1929 Approved
0.8131 Intermediate Similarity NPD1930 Approved
0.7876 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.783 Intermediate Similarity NPD3495 Discontinued
0.7822 Intermediate Similarity NPD650 Approved
0.781 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.7731 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD1237 Approved
0.7692 Intermediate Similarity NPD7609 Phase 3
0.7632 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD7631 Approved
0.7576 Intermediate Similarity NPD942 Approved
0.7545 Intermediate Similarity NPD1932 Approved
0.7521 Intermediate Similarity NPD5951 Approved
0.7521 Intermediate Similarity NPD4879 Approved
0.7453 Intermediate Similarity NPD1508 Approved
0.7407 Intermediate Similarity NPD1989 Approved
0.7364 Intermediate Similarity NPD2066 Phase 3
0.7304 Intermediate Similarity NPD2329 Discontinued
0.7295 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.728 Intermediate Similarity NPD1876 Approved
0.7257 Intermediate Similarity NPD164 Approved
0.7248 Intermediate Similarity NPD1843 Approved
0.7236 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD1202 Approved
0.7222 Intermediate Similarity NPD1563 Approved
0.7213 Intermediate Similarity NPD1651 Approved
0.7207 Intermediate Similarity NPD1238 Approved
0.7196 Intermediate Similarity NPD1239 Approved
0.7179 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7155 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD7008 Discontinued
0.7129 Intermediate Similarity NPD1507 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD5909 Discontinued
0.7083 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD6858 Approved
0.7059 Intermediate Similarity NPD7094 Approved
0.704 Intermediate Similarity NPD1201 Approved
0.704 Intermediate Similarity NPD1281 Approved
0.7027 Intermediate Similarity NPD1566 Phase 3
0.7027 Intermediate Similarity NPD1564 Approved
0.7027 Intermediate Similarity NPD1565 Approved
0.7016 Intermediate Similarity NPD2345 Approved
0.7009 Intermediate Similarity NPD2182 Approved
0.7 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.6992 Remote Similarity NPD7009 Phase 2
0.6984 Remote Similarity NPD3972 Approved
0.6984 Remote Similarity NPD4878 Approved
0.6981 Remote Similarity NPD1087 Approved
0.6953 Remote Similarity NPD1470 Approved
0.6949 Remote Similarity NPD2067 Discontinued
0.6912 Remote Similarity NPD1471 Phase 3
0.6911 Remote Similarity NPD7610 Discontinued
0.6905 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6899 Remote Similarity NPD2798 Approved
0.6887 Remote Similarity NPD9259 Approved
0.6887 Remote Similarity NPD9257 Approved
0.6875 Remote Similarity NPD1283 Approved
0.6863 Remote Similarity NPD9490 Approved
0.686 Remote Similarity NPD1241 Discontinued
0.6847 Remote Similarity NPD1693 Approved
0.6829 Remote Similarity NPD405 Clinical (unspecified phase)
0.6789 Remote Similarity NPD1090 Approved
0.6789 Remote Similarity NPD1089 Approved
0.6789 Remote Similarity NPD1086 Approved
0.6788 Remote Similarity NPD2346 Discontinued
0.6772 Remote Similarity NPD6287 Discontinued
0.6767 Remote Similarity NPD7961 Discontinued
0.6765 Remote Similarity NPD225 Approved
0.6765 Remote Similarity NPD227 Approved
0.6763 Remote Similarity NPD7003 Approved
0.6762 Remote Similarity NPD9491 Approved
0.6697 Remote Similarity NPD800 Approved
0.6692 Remote Similarity NPD1164 Approved
0.6692 Remote Similarity NPD2313 Discontinued
0.6667 Remote Similarity NPD2629 Approved
0.6667 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6667 Remote Similarity NPD506 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1088 Approved
0.6642 Remote Similarity NPD3748 Approved
0.6641 Remote Similarity NPD6007 Clinical (unspecified phase)
0.664 Remote Similarity NPD6065 Approved
0.6636 Remote Similarity NPD9256 Approved
0.6636 Remote Similarity NPD3672 Approved
0.6636 Remote Similarity NPD9258 Approved
0.6636 Remote Similarity NPD3673 Approved
0.6614 Remote Similarity NPD2932 Approved
0.6613 Remote Similarity NPD3317 Approved
0.6609 Remote Similarity NPD7798 Approved
0.6571 Remote Similarity NPD226 Approved
0.6567 Remote Similarity NPD3764 Approved
0.6549 Remote Similarity NPD7236 Approved
0.6538 Remote Similarity NPD5157 Phase 1
0.6538 Remote Similarity NPD5159 Phase 2
0.6538 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6535 Remote Similarity NPD3025 Approved
0.6535 Remote Similarity NPD3024 Approved
0.6535 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6532 Remote Similarity NPD1246 Approved
0.6529 Remote Similarity NPD1317 Discontinued
0.6522 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6522 Remote Similarity NPD2799 Discontinued
0.6522 Remote Similarity NPD9495 Approved
0.6515 Remote Similarity NPD4980 Approved
0.6515 Remote Similarity NPD2788 Approved
0.6489 Remote Similarity NPD1574 Approved
0.6484 Remote Similarity NPD3019 Approved
0.6484 Remote Similarity NPD5836 Discontinued
0.6475 Remote Similarity NPD5406 Approved
0.6475 Remote Similarity NPD5404 Approved
0.6475 Remote Similarity NPD5405 Approved
0.6475 Remote Similarity NPD5408 Approved
0.6471 Remote Similarity NPD2979 Phase 3
0.6441 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6439 Remote Similarity NPD1593 Approved
0.6434 Remote Similarity NPD3026 Approved
0.6434 Remote Similarity NPD3023 Approved
0.6429 Remote Similarity NPD4576 Approved
0.6429 Remote Similarity NPD4574 Approved
0.6412 Remote Similarity NPD182 Clinical (unspecified phase)
0.641 Remote Similarity NPD3135 Clinical (unspecified phase)
0.6408 Remote Similarity NPD3750 Approved
0.6406 Remote Similarity NPD1245 Approved
0.6404 Remote Similarity NPD9260 Approved
0.6397 Remote Similarity NPD7713 Phase 3
0.6393 Remote Similarity NPD3646 Clinical (unspecified phase)
0.6389 Remote Similarity NPD3950 Discontinued
0.6383 Remote Similarity NPD2897 Discontinued
0.637 Remote Similarity NPD6039 Approved
0.6364 Remote Similarity NPD5667 Approved
0.6364 Remote Similarity NPD3295 Clinical (unspecified phase)
0.6357 Remote Similarity NPD17 Approved
0.6357 Remote Similarity NPD2935 Discontinued
0.6357 Remote Similarity NPD2796 Approved
0.635 Remote Similarity NPD1240 Approved
0.635 Remote Similarity NPD4307 Phase 2
0.6345 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6338 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6327 Remote Similarity NPD7239 Suspended
0.6316 Remote Similarity NPD3267 Approved
0.6316 Remote Similarity NPD3266 Approved
0.6312 Remote Similarity NPD2344 Approved
0.6312 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6312 Remote Similarity NPD2353 Approved
0.6308 Remote Similarity NPD4135 Approved
0.6308 Remote Similarity NPD4136 Approved
0.6308 Remote Similarity NPD4106 Approved
0.6303 Remote Similarity NPD9261 Approved
0.6303 Remote Similarity NPD6647 Phase 2
0.6301 Remote Similarity NPD6273 Approved
0.6299 Remote Similarity NPD9493 Approved
0.6296 Remote Similarity NPD6832 Phase 2
0.6286 Remote Similarity NPD1510 Phase 2
0.6284 Remote Similarity NPD3226 Approved
0.6284 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6279 Remote Similarity NPD4102 Approved
0.6279 Remote Similarity NPD4105 Approved
0.627 Remote Similarity NPD4766 Approved
0.6261 Remote Similarity NPD4094 Approved
0.626 Remote Similarity NPD664 Approved
0.626 Remote Similarity NPD1752 Approved
0.626 Remote Similarity NPD1756 Approved
0.626 Remote Similarity NPD5618 Discontinued
0.626 Remote Similarity NPD518 Clinical (unspecified phase)
0.6259 Remote Similarity NPD1607 Approved
0.625 Remote Similarity NPD6966 Discovery
0.625 Remote Similarity NPD5346 Phase 2
0.625 Remote Similarity NPD3887 Approved
0.625 Remote Similarity NPD5347 Phase 2
0.6241 Remote Similarity NPD2438 Suspended
0.6241 Remote Similarity NPD2531 Phase 2
0.624 Remote Similarity NPD2607 Approved
0.624 Remote Similarity NPD1279 Clinical (unspecified phase)
0.6231 Remote Similarity NPD5305 Approved
0.6231 Remote Similarity NPD5306 Approved
0.623 Remote Similarity NPD2342 Discontinued
0.6225 Remote Similarity NPD7819 Suspended
0.6225 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6222 Remote Similarity NPD7084 Phase 3
0.622 Remote Similarity NPD4198 Discontinued
0.6218 Remote Similarity NPD2193 Phase 2
0.6218 Remote Similarity NPD2648 Phase 3
0.6216 Remote Similarity NPD1282 Approved
0.6216 Remote Similarity NPD4793 Discontinued
0.6212 Remote Similarity NPD1608 Approved
0.6207 Remote Similarity NPD3300 Phase 2
0.6202 Remote Similarity NPD9545 Approved
0.6202 Remote Similarity NPD4479 Discontinued
0.6194 Remote Similarity NPD2797 Approved
0.619 Remote Similarity NPD4869 Clinical (unspecified phase)
0.619 Remote Similarity NPD5049 Phase 3
0.6184 Remote Similarity NPD5616 Clinical (unspecified phase)
0.6176 Remote Similarity NPD7055 Discontinued
0.6174 Remote Similarity NPD7458 Discontinued
0.617 Remote Similarity NPD4308 Phase 3
0.617 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6164 Remote Similarity NPD8165 Discontinued
0.6164 Remote Similarity NPD7390 Discontinued

Structure

External Identifiers

PubChem CID   5027250
ChEMBL   CHEMBL226661
ZINC  

Physicochemical Properties

Molecular Weight:  210.07
ALogP:  -0.2946
MLogP:  2.78
XLogP:  4.755
# Rotatable Bonds:  2
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  16

Download Data

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