Natural Product: NPC134120

Natural Product ID:  NPC134120
Common Name:   2-Hydroxyphenalen-1-One
IUPAC Name:   2-hydroxyphenalen-1-one
Synonyms:  
Molecular Formula:   C13H8O2
Standard InCHIKey:  NCBYJFISWDYMDW-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H8O2/c14-11-7-9-5-1-3-8-4-2-6-10(12(8)9)13(11)15/h1-7,14H
Canonical SMILES:  OC1=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 = 23.4 ppm 24012119

  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 NPC134120 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
0.9417 High Similarity NPC186128
0.9216 High Similarity NPC203732
0.902 High Similarity NPC172483
0.901 High Similarity NPC274443
0.8911 High Similarity NPC244427
0.8911 High Similarity NPC222390
0.8889 High Similarity NPC156021
0.8818 High Similarity NPC318173
0.8785 High Similarity NPC143768
0.8704 High Similarity NPC67377
0.8692 High Similarity NPC292834
0.8641 High Similarity NPC329556
0.8586 High Similarity NPC34243
0.8571 High Similarity NPC100767
0.8557 High Similarity NPC418308
0.85 High Similarity NPC172925
0.8468 Intermediate Similarity NPC469843
0.8462 Intermediate Similarity NPC247976
0.8411 Intermediate Similarity NPC318327
0.8393 Intermediate Similarity NPC222968
0.8393 Intermediate Similarity NPC323440
0.8393 Intermediate Similarity NPC80605
0.8364 Intermediate Similarity NPC196673
0.8362 Intermediate Similarity NPC318067
0.8291 Intermediate Similarity NPC164014
0.8286 Intermediate Similarity NPC255676
0.8269 Intermediate Similarity NPC112552
0.8257 Intermediate Similarity NPC474057
0.8241 Intermediate Similarity NPC192577
0.8208 Intermediate Similarity NPC249067
0.82 Intermediate Similarity NPC110704
0.8198 Intermediate Similarity NPC326664
0.8182 Intermediate Similarity NPC66208
0.8142 Intermediate Similarity NPC158157
0.8137 Intermediate Similarity NPC472880
0.8108 Intermediate Similarity NPC470253
0.81 Intermediate Similarity NPC277277
0.81 Intermediate Similarity NPC19256
0.8091 Intermediate Similarity NPC137315
0.8091 Intermediate Similarity NPC265513
0.8083 Intermediate Similarity NPC478162
0.8083 Intermediate Similarity NPC478165
0.8081 Intermediate Similarity NPC267262
0.8077 Intermediate Similarity NPC49994
0.8058 Intermediate Similarity NPC12695
0.8051 Intermediate Similarity NPC328107
0.8039 Intermediate Similarity NPC289883
0.8037 Intermediate Similarity NPC329282
0.8036 Intermediate Similarity NPC471721
0.8019 Intermediate Similarity NPC320891
0.8018 Intermediate Similarity NPC218855
0.7982 Intermediate Similarity NPC211439
0.7963 Intermediate Similarity NPC105899
0.7946 Intermediate Similarity NPC93287
0.7931 Intermediate Similarity NPC476645
0.7928 Intermediate Similarity NPC291799
0.7921 Intermediate Similarity NPC173413
0.79 Intermediate Similarity NPC157778
0.789 Intermediate Similarity NPC83409
0.789 Intermediate Similarity NPC37914
0.789 Intermediate Similarity NPC185763
0.7886 Intermediate Similarity NPC27659
0.7876 Intermediate Similarity NPC234637
0.7876 Intermediate Similarity NPC241851
0.7876 Intermediate Similarity NPC130591
0.7863 Intermediate Similarity NPC232958
0.7863 Intermediate Similarity NPC105709
0.7843 Intermediate Similarity NPC133461
0.7843 Intermediate Similarity NPC476484
0.7833 Intermediate Similarity NPC295664
0.7822 Intermediate Similarity NPC113307
0.7822 Intermediate Similarity NPC325709
0.7818 Intermediate Similarity NPC112903
0.7818 Intermediate Similarity NPC470391
0.7815 Intermediate Similarity NPC65627
0.781 Intermediate Similarity NPC103048
0.781 Intermediate Similarity NPC239185
0.7807 Intermediate Similarity NPC215419
0.7807 Intermediate Similarity NPC186933
0.7807 Intermediate Similarity NPC93181
0.7807 Intermediate Similarity NPC470764
0.78 Intermediate Similarity NPC43945
0.7798 Intermediate Similarity NPC471186
0.7797 Intermediate Similarity NPC472981
0.7797 Intermediate Similarity NPC144547
0.7788 Intermediate Similarity NPC471481
0.7788 Intermediate Similarity NPC260233
0.7778 Intermediate Similarity NPC204784
0.7767 Intermediate Similarity NPC155232
0.7767 Intermediate Similarity NPC153885
0.7757 Intermediate Similarity NPC472879
0.7755 Intermediate Similarity NPC273758
0.7755 Intermediate Similarity NPC215008
0.7736 Intermediate Similarity NPC134882
0.7736 Intermediate Similarity NPC229242
0.7736 Intermediate Similarity NPC145052
0.7732 Intermediate Similarity NPC273033
0.7732 Intermediate Similarity NPC12936
0.7731 Intermediate Similarity NPC120545
0.7724 Intermediate Similarity NPC96024
0.7723 Intermediate Similarity NPC477693
0.7723 Intermediate Similarity NPC329064
0.7723 Intermediate Similarity NPC477704
0.7712 Intermediate Similarity NPC289432
0.7712 Intermediate Similarity NPC988
0.77 Intermediate Similarity NPC160339
0.77 Intermediate Similarity NPC307
0.7699 Intermediate Similarity NPC79496
0.7699 Intermediate Similarity NPC471189
0.7692 Intermediate Similarity NPC238219
0.7686 Intermediate Similarity NPC142956
0.7685 Intermediate Similarity NPC25458
0.767 Intermediate Similarity NPC103346
0.767 Intermediate Similarity NPC284475
0.7667 Intermediate Similarity NPC300274
0.7667 Intermediate Similarity NPC91478
0.7664 Intermediate Similarity NPC476042
0.7658 Intermediate Similarity NPC141523
0.7642 Intermediate Similarity NPC265220
0.7642 Intermediate Similarity NPC289201
0.7632 Intermediate Similarity NPC13784
0.7629 Intermediate Similarity NPC71664
0.7611 Intermediate Similarity NPC21162
0.7603 Intermediate Similarity NPC375356
0.76 Intermediate Similarity NPC95965
0.76 Intermediate Similarity NPC55949
0.7596 Intermediate Similarity NPC59677
0.7596 Intermediate Similarity NPC188844
0.7596 Intermediate Similarity NPC1682
0.7593 Intermediate Similarity NPC476993
0.7593 Intermediate Similarity NPC109514
0.7586 Intermediate Similarity NPC62138
0.7586 Intermediate Similarity NPC322197
0.7586 Intermediate Similarity NPC135730
0.7583 Intermediate Similarity NPC269923
0.7583 Intermediate Similarity NPC167323
0.7581 Intermediate Similarity NPC48248
0.757 Intermediate Similarity NPC329387
0.757 Intermediate Similarity NPC75724
0.757 Intermediate Similarity NPC317280
0.7547 Intermediate Similarity NPC185208
0.7547 Intermediate Similarity NPC219573
0.7544 Intermediate Similarity NPC212415
0.7544 Intermediate Similarity NPC280789
0.7541 Intermediate Similarity NPC173978
0.7541 Intermediate Similarity NPC236189
0.754 Intermediate Similarity NPC244699
0.7523 Intermediate Similarity NPC304873
0.7523 Intermediate Similarity NPC284477
0.7521 Intermediate Similarity NPC164947
0.7521 Intermediate Similarity NPC307174
0.752 Intermediate Similarity NPC34414
0.752 Intermediate Similarity NPC146647
0.752 Intermediate Similarity NPC171460
0.75 Intermediate Similarity NPC476357
0.75 Intermediate Similarity NPC274839
0.75 Intermediate Similarity NPC474095
0.75 Intermediate Similarity NPC228936
0.75 Intermediate Similarity NPC474408
0.75 Intermediate Similarity NPC217621
0.75 Intermediate Similarity NPC216216
0.748 Intermediate Similarity NPC123506
0.748 Intermediate Similarity NPC236405
0.748 Intermediate Similarity NPC103540
0.7479 Intermediate Similarity NPC202015
0.7477 Intermediate Similarity NPC240042
0.7462 Intermediate Similarity NPC264022
0.7459 Intermediate Similarity NPC135062
0.7459 Intermediate Similarity NPC85511
0.7458 Intermediate Similarity NPC228318
0.7456 Intermediate Similarity NPC210089
0.7451 Intermediate Similarity NPC322387
0.7451 Intermediate Similarity NPC69057
0.744 Intermediate Similarity NPC282923
0.7438 Intermediate Similarity NPC295034
0.7434 Intermediate Similarity NPC17525
0.7431 Intermediate Similarity NPC128248
0.7431 Intermediate Similarity NPC133809
0.7431 Intermediate Similarity NPC136810
0.7431 Intermediate Similarity NPC225079
0.7431 Intermediate Similarity NPC282895
0.7429 Intermediate Similarity NPC323420
0.7419 Intermediate Similarity NPC231774
0.7419 Intermediate Similarity NPC3224
0.7419 Intermediate Similarity NPC81135
0.7419 Intermediate Similarity NPC474106
0.7419 Intermediate Similarity NPC254492
0.7419 Intermediate Similarity NPC160499
0.7419 Intermediate Similarity NPC15837
0.7419 Intermediate Similarity NPC96915
0.7417 Intermediate Similarity NPC206778
0.7417 Intermediate Similarity NPC285829
0.7414 Intermediate Similarity NPC196075
0.7411 Intermediate Similarity NPC142326
0.7411 Intermediate Similarity NPC94751
0.7404 Intermediate Similarity NPC67585
0.7404 Intermediate Similarity NPC110420
0.7404 Intermediate Similarity NPC303967
0.74 Intermediate Similarity NPC285773
0.7398 Intermediate Similarity NPC310540

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC134120 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
0.8641 High Similarity NPD1931 Clinical (unspecified phase)
0.8641 High Similarity NPD1930 Approved
0.8641 High Similarity NPD1929 Approved
0.85 High Similarity NPD688 Clinical (unspecified phase)
0.8208 Intermediate Similarity NPD1237 Approved
0.819 Intermediate Similarity NPD1932 Approved
0.8103 Intermediate Similarity NPD4879 Approved
0.7965 Intermediate Similarity NPD5951 Approved
0.7928 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7843 Intermediate Similarity NPD1239 Approved
0.783 Intermediate Similarity NPD2066 Phase 3
0.781 Intermediate Similarity NPD3495 Discontinued
0.78 Intermediate Similarity NPD650 Approved
0.7748 Intermediate Similarity NPD2329 Discontinued
0.7732 Intermediate Similarity NPD942 Approved
0.7712 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.767 Intermediate Similarity NPD7609 Phase 3
0.7596 Intermediate Similarity NPD7631 Approved
0.7596 Intermediate Similarity NPD1508 Approved
0.7589 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7583 Intermediate Similarity NPD1201 Approved
0.7544 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.7524 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7521 Intermediate Similarity NPD4878 Approved
0.748 Intermediate Similarity NPD1470 Approved
0.7477 Intermediate Similarity NPD1565 Approved
0.7477 Intermediate Similarity NPD1564 Approved
0.7477 Intermediate Similarity NPD1566 Phase 3
0.7417 Intermediate Similarity NPD2345 Approved
0.74 Intermediate Similarity NPD9491 Approved
0.7395 Intermediate Similarity NPD7009 Phase 2
0.7383 Intermediate Similarity NPD1843 Approved
0.7373 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD1202 Approved
0.7311 Intermediate Similarity NPD7610 Discontinued
0.729 Intermediate Similarity NPD1693 Approved
0.7273 Intermediate Similarity NPD1507 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD7008 Discontinued
0.7238 Intermediate Similarity NPD9256 Approved
0.7238 Intermediate Similarity NPD1089 Approved
0.7238 Intermediate Similarity NPD9258 Approved
0.7238 Intermediate Similarity NPD1090 Approved
0.7238 Intermediate Similarity NPD1086 Approved
0.72 Intermediate Similarity NPD1164 Approved
0.72 Intermediate Similarity NPD226 Approved
0.7196 Intermediate Similarity NPD1563 Approved
0.7143 Intermediate Similarity NPD800 Approved
0.7109 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD1088 Approved
0.708 Intermediate Similarity NPD5909 Discontinued
0.7064 Intermediate Similarity NPD1989 Approved
0.7027 Intermediate Similarity NPD1238 Approved
0.7019 Intermediate Similarity NPD9257 Approved
0.7019 Intermediate Similarity NPD9259 Approved
0.7008 Intermediate Similarity NPD4980 Approved
0.7 Intermediate Similarity NPD9490 Approved
0.6992 Remote Similarity NPD2932 Approved
0.6984 Remote Similarity NPD1574 Approved
0.6952 Remote Similarity NPD1087 Approved
0.694 Remote Similarity NPD5404 Approved
0.694 Remote Similarity NPD5406 Approved
0.694 Remote Similarity NPD5408 Approved
0.694 Remote Similarity NPD5405 Approved
0.6937 Remote Similarity NPD9495 Approved
0.6935 Remote Similarity NPD7457 Clinical (unspecified phase)
0.693 Remote Similarity NPD164 Approved
0.6929 Remote Similarity NPD1593 Approved
0.6923 Remote Similarity NPD2313 Discontinued
0.6923 Remote Similarity NPD3764 Approved
0.6923 Remote Similarity NPD1317 Discontinued
0.6917 Remote Similarity NPD690 Clinical (unspecified phase)
0.6917 Remote Similarity NPD1246 Approved
0.6911 Remote Similarity NPD4196 Clinical (unspecified phase)
0.69 Remote Similarity NPD225 Approved
0.69 Remote Similarity NPD227 Approved
0.6889 Remote Similarity NPD2346 Discontinued
0.6875 Remote Similarity NPD2798 Approved
0.6866 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6864 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6855 Remote Similarity NPD3019 Approved
0.685 Remote Similarity NPD1283 Approved
0.685 Remote Similarity NPD1876 Approved
0.6792 Remote Similarity NPD4793 Discontinued
0.6777 Remote Similarity NPD2629 Approved
0.6774 Remote Similarity NPD1245 Approved
0.6774 Remote Similarity NPD1651 Approved
0.6772 Remote Similarity NPD182 Clinical (unspecified phase)
0.6772 Remote Similarity NPD5159 Phase 2
0.6772 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6772 Remote Similarity NPD5157 Phase 1
0.6752 Remote Similarity NPD2342 Discontinued
0.675 Remote Similarity NPD6858 Approved
0.675 Remote Similarity NPD7094 Approved
0.6744 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6742 Remote Similarity NPD7961 Discontinued
0.6739 Remote Similarity NPD7003 Approved
0.6696 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6695 Remote Similarity NPD2182 Approved
0.6667 Remote Similarity NPD5346 Phase 2
0.6667 Remote Similarity NPD5347 Phase 2
0.6643 Remote Similarity NPD3300 Phase 2
0.6642 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6639 Remote Similarity NPD664 Approved
0.6636 Remote Similarity NPD506 Clinical (unspecified phase)
0.6619 Remote Similarity NPD3750 Approved
0.6618 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6618 Remote Similarity NPD2799 Discontinued
0.6614 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6614 Remote Similarity NPD1281 Approved
0.661 Remote Similarity NPD9265 Clinical (unspecified phase)
0.661 Remote Similarity NPD9264 Approved
0.661 Remote Similarity NPD9263 Approved
0.661 Remote Similarity NPD9267 Approved
0.6607 Remote Similarity NPD5206 Clinical (unspecified phase)
0.6591 Remote Similarity NPD6966 Discovery
0.6587 Remote Similarity NPD5836 Discontinued
0.6562 Remote Similarity NPD3972 Approved
0.6557 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6555 Remote Similarity NPD74 Approved
0.6555 Remote Similarity NPD9266 Approved
0.6541 Remote Similarity NPD2846 Clinical (unspecified phase)
0.6541 Remote Similarity NPD5422 Clinical (unspecified phase)
0.6535 Remote Similarity NPD3026 Approved
0.6535 Remote Similarity NPD3023 Approved
0.6529 Remote Similarity NPD9508 Approved
0.6525 Remote Similarity NPD7236 Approved
0.6522 Remote Similarity NPD1471 Phase 3
0.6518 Remote Similarity NPD9260 Approved
0.6508 Remote Similarity NPD4102 Approved
0.6508 Remote Similarity NPD3025 Approved
0.6508 Remote Similarity NPD4105 Approved
0.6508 Remote Similarity NPD3024 Approved
0.6496 Remote Similarity NPD3748 Approved
0.6484 Remote Similarity NPD6287 Discontinued
0.6479 Remote Similarity NPD7390 Discontinued
0.6475 Remote Similarity NPD7635 Approved
0.6452 Remote Similarity NPD3317 Approved
0.6444 Remote Similarity NPD943 Approved
0.6444 Remote Similarity NPD4445 Approved
0.6444 Remote Similarity NPD4453 Approved
0.6444 Remote Similarity NPD4452 Approved
0.6442 Remote Similarity NPD4695 Discontinued
0.6441 Remote Similarity NPD1018 Approved
0.6435 Remote Similarity NPD7798 Approved
0.6435 Remote Similarity NPD3020 Approved
0.6423 Remote Similarity NPD1532 Approved
0.6423 Remote Similarity NPD1241 Discontinued
0.6415 Remote Similarity NPD3971 Phase 1
0.641 Remote Similarity NPD6647 Phase 2
0.641 Remote Similarity NPD9261 Approved
0.6406 Remote Similarity NPD4106 Approved
0.6406 Remote Similarity NPD3881 Discontinued
0.6406 Remote Similarity NPD4136 Approved
0.6406 Remote Similarity NPD4135 Approved
0.6404 Remote Similarity NPD1875 Phase 1
0.6403 Remote Similarity NPD2344 Approved
0.64 Remote Similarity NPD9493 Approved
0.6377 Remote Similarity NPD1510 Phase 2
0.6377 Remote Similarity NPD651 Clinical (unspecified phase)
0.637 Remote Similarity NPD3226 Approved
0.637 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6364 Remote Similarity NPD8165 Discontinued
0.6364 Remote Similarity NPD2067 Discontinued
0.6357 Remote Similarity NPD5618 Discontinued
0.6349 Remote Similarity NPD6065 Approved
0.6348 Remote Similarity NPD253 Approved
0.6341 Remote Similarity NPD5277 Phase 2
0.6336 Remote Similarity NPD1482 Clinical (unspecified phase)
0.6331 Remote Similarity NPD2935 Discontinued
0.6328 Remote Similarity NPD5306 Approved
0.6328 Remote Similarity NPD5305 Approved
0.6324 Remote Similarity NPD1240 Approved
0.6319 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6319 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6316 Remote Similarity NPD2860 Approved
0.6316 Remote Similarity NPD2859 Approved
0.6312 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6308 Remote Similarity NPD1608 Approved
0.6308 Remote Similarity NPD3880 Clinical (unspecified phase)
0.6306 Remote Similarity NPD3672 Approved
0.6306 Remote Similarity NPD3673 Approved
0.6301 Remote Similarity NPD7239 Suspended
0.6299 Remote Similarity NPD9545 Approved
0.6299 Remote Similarity NPD4479 Discontinued
0.629 Remote Similarity NPD1280 Clinical (unspecified phase)
0.6288 Remote Similarity NPD1203 Approved
0.6288 Remote Similarity NPD2797 Approved
0.6283 Remote Similarity NPD845 Approved
0.6276 Remote Similarity NPD6273 Approved
0.627 Remote Similarity NPD3797 Approved
0.6259 Remote Similarity NPD4308 Phase 3
0.625 Remote Similarity NPD6994 Approved
0.625 Remote Similarity NPD6993 Approved
0.625 Remote Similarity NPD1855 Clinical (unspecified phase)
0.624 Remote Similarity NPD9281 Approved
0.6239 Remote Similarity NPD3135 Clinical (unspecified phase)
0.6239 Remote Similarity NPD1616 Discontinued
0.6232 Remote Similarity NPD1607 Approved
0.6231 Remote Similarity NPD4806 Approved

Structure

External Identifiers

PubChem CID   12644642
ChEMBL   CHEMBL227815
ZINC  

Physicochemical Properties

Molecular Weight:  196.05
ALogP:  -0.3591
MLogP:  2.67
XLogP:  4.863
# Rotatable Bonds:  1
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  15

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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