Natural Product: NPC48162

Natural Product ID:  NPC48162
Common Name:   (5Z,9Z)-14-Methylpentadeca-5,9-Dienoic Acid
IUPAC Name:   (5Z,9Z)-14-methylpentadeca-5,9-dienoic acid
Synonyms:  
Molecular Formula:   C16H28O2
Standard InCHIKey:  PKYKYVUOJCITJQ-SFECMWDFSA-N
Standard InCHI:  InChI=1S/C16H28O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h5-8,15H,3-4,9-14H2,1-2H3,(H,17,18)/b7-5-,8-6-
Canonical SMILES:  CC(CCC/C=CCC/C=CCCCC(=O)O)C
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
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 240000 nM 12444712
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC = 160000 nM 12444712
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 240000 nM 9170293
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IC50 = 36 ug/ml 9170293
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC = 160000 nM 9170293
NPT175 Organism Enterococcus faecalis Enterococcus faecalis IC50 < 10 ug/ml 9170293
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 100 ug/ml 9170293
NPT19 Organism Escherichia coli Escherichia coli MIC > 100 ug/ml 9170293

  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 NPC48162 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
0.8958 High Similarity NPC91495
0.8936 High Similarity NPC117572
0.8776 High Similarity NPC149821
0.8776 High Similarity NPC5413
0.8704 High Similarity NPC329819
0.86 High Similarity NPC59051
0.8571 High Similarity NPC207292
0.8269 Intermediate Similarity NPC92114
0.8148 Intermediate Similarity NPC477984
0.8148 Intermediate Similarity NPC67367
0.8125 Intermediate Similarity NPC270796
0.8113 Intermediate Similarity NPC1813
0.8113 Intermediate Similarity NPC321062
0.8113 Intermediate Similarity NPC70387
0.8113 Intermediate Similarity NPC294548
0.8113 Intermediate Similarity NPC36061
0.8113 Intermediate Similarity NPC139029
0.8103 Intermediate Similarity NPC322457
0.8077 Intermediate Similarity NPC28205
0.8077 Intermediate Similarity NPC284212
0.8 Intermediate Similarity NPC42304
0.7963 Intermediate Similarity NPC290563
0.7963 Intermediate Similarity NPC85813
0.7963 Intermediate Similarity NPC6095
0.7963 Intermediate Similarity NPC25417
0.7963 Intermediate Similarity NPC154245
0.7963 Intermediate Similarity NPC87564
0.7963 Intermediate Similarity NPC32467
0.7963 Intermediate Similarity NPC261831
0.7963 Intermediate Similarity NPC322461
0.7963 Intermediate Similarity NPC281972
0.7963 Intermediate Similarity NPC424
0.7963 Intermediate Similarity NPC88966
0.7931 Intermediate Similarity NPC174560
0.7931 Intermediate Similarity NPC125312
0.7925 Intermediate Similarity NPC281245
0.7925 Intermediate Similarity NPC129458
0.7925 Intermediate Similarity NPC216407
0.7818 Intermediate Similarity NPC473863
0.7818 Intermediate Similarity NPC274290
0.7778 Intermediate Similarity NPC10081
0.7778 Intermediate Similarity NPC225066
0.7736 Intermediate Similarity NPC178586
0.7679 Intermediate Similarity NPC477201
0.7679 Intermediate Similarity NPC325977
0.7679 Intermediate Similarity NPC187777
0.7679 Intermediate Similarity NPC327388
0.7679 Intermediate Similarity NPC18951
0.7679 Intermediate Similarity NPC179764
0.7593 Intermediate Similarity NPC170167
0.7593 Intermediate Similarity NPC303765
0.7547 Intermediate Similarity NPC224227
0.7544 Intermediate Similarity NPC323436
0.7544 Intermediate Similarity NPC323498
0.7544 Intermediate Similarity NPC225929
0.7544 Intermediate Similarity NPC323597
0.7544 Intermediate Similarity NPC211752
0.75 Intermediate Similarity NPC45626
0.75 Intermediate Similarity NPC54766
0.746 Intermediate Similarity NPC273508
0.746 Intermediate Similarity NPC209327
0.746 Intermediate Similarity NPC476614
0.7419 Intermediate Similarity NPC308294
0.7419 Intermediate Similarity NPC142423
0.7407 Intermediate Similarity NPC244452
0.7407 Intermediate Similarity NPC262968
0.7377 Intermediate Similarity NPC234767
0.7321 Intermediate Similarity NPC137538
0.7321 Intermediate Similarity NPC474127
0.7302 Intermediate Similarity NPC60120
0.7288 Intermediate Similarity NPC329550
0.7288 Intermediate Similarity NPC106851
0.7288 Intermediate Similarity NPC274927
0.7288 Intermediate Similarity NPC329249
0.7273 Intermediate Similarity NPC151919
0.7231 Intermediate Similarity NPC318766
0.7222 Intermediate Similarity NPC289388
0.7193 Intermediate Similarity NPC46151
0.7193 Intermediate Similarity NPC52264
0.7188 Intermediate Similarity NPC53302
0.717 Intermediate Similarity NPC180534
0.7167 Intermediate Similarity NPC235242
0.7167 Intermediate Similarity NPC174447
0.7167 Intermediate Similarity NPC321919
0.7167 Intermediate Similarity NPC251042
0.7167 Intermediate Similarity NPC328311
0.7167 Intermediate Similarity NPC81896
0.7167 Intermediate Similarity NPC243532
0.7167 Intermediate Similarity NPC122521
0.7167 Intermediate Similarity NPC327112
0.7143 Intermediate Similarity NPC139545
0.7143 Intermediate Similarity NPC309606
0.7143 Intermediate Similarity NPC39633
0.7121 Intermediate Similarity NPC126061
0.7121 Intermediate Similarity NPC319163
0.7121 Intermediate Similarity NPC477983
0.7121 Intermediate Similarity NPC67076
0.7121 Intermediate Similarity NPC477981
0.7119 Intermediate Similarity NPC471619
0.7119 Intermediate Similarity NPC267817
0.7097 Intermediate Similarity NPC34883
0.7091 Intermediate Similarity NPC148056
0.7069 Intermediate Similarity NPC252860
0.7049 Intermediate Similarity NPC328776
0.7049 Intermediate Similarity NPC320305
0.7049 Intermediate Similarity NPC201939
0.7049 Intermediate Similarity NPC321838
0.7049 Intermediate Similarity NPC40082
0.7037 Intermediate Similarity NPC163345
0.7018 Intermediate Similarity NPC87394
0.7015 Intermediate Similarity NPC321017
0.7 Intermediate Similarity NPC322002
0.6981 Remote Similarity NPC262558
0.6981 Remote Similarity NPC8610
0.697 Remote Similarity NPC67183
0.6964 Remote Similarity NPC18357
0.6964 Remote Similarity NPC477779
0.6939 Remote Similarity NPC3531
0.6935 Remote Similarity NPC155849
0.6912 Remote Similarity NPC3753
0.6912 Remote Similarity NPC103958
0.6912 Remote Similarity NPC283908
0.6912 Remote Similarity NPC241854
0.6912 Remote Similarity NPC237591
0.6912 Remote Similarity NPC183503
0.6912 Remote Similarity NPC251970
0.6912 Remote Similarity NPC55527
0.6912 Remote Similarity NPC476046
0.6912 Remote Similarity NPC161923
0.6909 Remote Similarity NPC27264
0.6897 Remote Similarity NPC28779
0.6897 Remote Similarity NPC223677
0.6897 Remote Similarity NPC200845
0.6897 Remote Similarity NPC228473
0.6897 Remote Similarity NPC128061
0.6897 Remote Similarity NPC10316
0.6897 Remote Similarity NPC474672
0.6875 Remote Similarity NPC477982
0.6875 Remote Similarity NPC100719
0.6875 Remote Similarity NPC322035
0.6875 Remote Similarity NPC166791
0.6866 Remote Similarity NPC160817
0.6866 Remote Similarity NPC288667
0.6842 Remote Similarity NPC217188
0.6842 Remote Similarity NPC71761
0.6833 Remote Similarity NPC34416
0.6825 Remote Similarity NPC470320
0.6825 Remote Similarity NPC328089
0.6825 Remote Similarity NPC68343
0.6812 Remote Similarity NPC279666
0.6812 Remote Similarity NPC68624
0.6812 Remote Similarity NPC192540
0.6812 Remote Similarity NPC476844
0.6792 Remote Similarity NPC165651
0.6792 Remote Similarity NPC210560
0.6792 Remote Similarity NPC24824
0.6786 Remote Similarity NPC470410
0.6786 Remote Similarity NPC470412
0.6786 Remote Similarity NPC477777
0.678 Remote Similarity NPC473936
0.6774 Remote Similarity NPC113293
0.6769 Remote Similarity NPC472875
0.6765 Remote Similarity NPC215745
0.6765 Remote Similarity NPC238948
0.6765 Remote Similarity NPC12815
0.6735 Remote Similarity NPC92863
0.6735 Remote Similarity NPC155880
0.6731 Remote Similarity NPC106819
0.6727 Remote Similarity NPC234597
0.6727 Remote Similarity NPC207815
0.6727 Remote Similarity NPC15912
0.6721 Remote Similarity NPC318306
0.6721 Remote Similarity NPC278202
0.6719 Remote Similarity NPC320642
0.6719 Remote Similarity NPC323045
0.6719 Remote Similarity NPC318420
0.6719 Remote Similarity NPC255863
0.6719 Remote Similarity NPC476654
0.6719 Remote Similarity NPC136164
0.6719 Remote Similarity NPC245947
0.6719 Remote Similarity NPC326268
0.6719 Remote Similarity NPC476657
0.6719 Remote Similarity NPC470688
0.6719 Remote Similarity NPC317881
0.6719 Remote Similarity NPC476655
0.6714 Remote Similarity NPC469514
0.6714 Remote Similarity NPC279537
0.6714 Remote Similarity NPC470899
0.6714 Remote Similarity NPC69143
0.6667 Remote Similarity NPC283502
0.6667 Remote Similarity NPC22098
0.6667 Remote Similarity NPC477980
0.6667 Remote Similarity NPC188596
0.6667 Remote Similarity NPC276009
0.6667 Remote Similarity NPC301065
0.6667 Remote Similarity NPC165808
0.6667 Remote Similarity NPC195246
0.6667 Remote Similarity NPC248763
0.6667 Remote Similarity NPC325452
0.6667 Remote Similarity NPC308331

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC48162 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
0.8936 High Similarity NPD4222 Approved
0.8776 High Similarity NPD3173 Approved
0.8542 High Similarity NPD39 Approved
0.8163 Intermediate Similarity NPD3174 Discontinued
0.8125 Intermediate Similarity NPD5326 Phase 3
0.8113 Intermediate Similarity NPD3172 Approved
0.7963 Intermediate Similarity NPD4266 Approved
0.7963 Intermediate Similarity NPD3194 Approved
0.7963 Intermediate Similarity NPD3195 Phase 2
0.7963 Intermediate Similarity NPD3196 Approved
0.75 Intermediate Similarity NPD5343 Approved
0.7407 Intermediate Similarity NPD29 Approved
0.7407 Intermediate Similarity NPD28 Approved
0.717 Intermediate Similarity NPD622 Approved
0.7167 Intermediate Similarity NPD4246 Clinical (unspecified phase)
0.6939 Remote Similarity NPD9450 Approved
0.6939 Remote Similarity NPD77 Approved
0.6923 Remote Similarity NPD6097 Approved
0.6923 Remote Similarity NPD6096 Approved
0.6833 Remote Similarity NPD6109 Phase 1
0.6825 Remote Similarity NPD3197 Phase 1
0.6727 Remote Similarity NPD4220 Pre-registration
0.6528 Remote Similarity NPD4268 Approved
0.6528 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6528 Remote Similarity NPD4271 Approved
0.6515 Remote Similarity NPD4247 Clinical (unspecified phase)
0.6491 Remote Similarity NPD6927 Phase 3
0.6471 Remote Similarity NPD9635 Discontinued
0.6364 Remote Similarity NPD7331 Phase 2
0.6351 Remote Similarity NPD4820 Approved
0.6351 Remote Similarity NPD5368 Approved
0.6351 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6351 Remote Similarity NPD4821 Approved
0.6351 Remote Similarity NPD4822 Approved
0.6351 Remote Similarity NPD4252 Approved
0.6351 Remote Similarity NPD4819 Approved
0.6301 Remote Similarity NPD3732 Approved
0.6275 Remote Similarity NPD5783 Phase 3
0.6267 Remote Similarity NPD5369 Approved
0.625 Remote Similarity NPD4193 Approved
0.625 Remote Similarity NPD4192 Approved
0.625 Remote Similarity NPD4191 Approved
0.625 Remote Similarity NPD4194 Approved
0.6184 Remote Similarity NPD4269 Approved
0.6184 Remote Similarity NPD6435 Approved
0.6184 Remote Similarity NPD4270 Approved
0.6182 Remote Similarity NPD4265 Approved
0.6182 Remote Similarity NPD634 Phase 3
0.6122 Remote Similarity NPD9447 Approved
0.6111 Remote Similarity NPD9411 Phase 1
0.6104 Remote Similarity NPD7154 Phase 3
0.6104 Remote Similarity NPD5332 Approved
0.6104 Remote Similarity NPD5331 Approved
0.6104 Remote Similarity NPD5362 Discontinued
0.6053 Remote Similarity NPD4790 Discontinued
0.597 Remote Similarity NPD7341 Phase 2
0.5965 Remote Similarity NPD2266 Phase 2
0.5949 Remote Similarity NPD5363 Approved
0.5909 Remote Similarity NPD2664 Clinical (unspecified phase)
0.589 Remote Similarity NPD8039 Approved
0.5882 Remote Similarity NPD9449 Clinical (unspecified phase)
0.5875 Remote Similarity NPD4249 Approved
0.5875 Remote Similarity NPD5786 Approved
0.5844 Remote Similarity NPD857 Phase 3
0.5833 Remote Similarity NPD3186 Phase 1
0.5823 Remote Similarity NPD5766 Clinical (unspecified phase)
0.5806 Remote Similarity NPD342 Phase 1
0.5802 Remote Similarity NPD4250 Approved
0.5802 Remote Similarity NPD4251 Approved
0.5741 Remote Similarity NPD2270 Approved
0.5735 Remote Similarity NPD2685 Clinical (unspecified phase)
0.5733 Remote Similarity NPD4756 Discovery
0.5663 Remote Similarity NPD5370 Suspended
0.5663 Remote Similarity NPD5347 Phase 2
0.5663 Remote Similarity NPD6101 Approved
0.5663 Remote Similarity NPD5346 Phase 2
0.5663 Remote Similarity NPD5764 Clinical (unspecified phase)
0.566 Remote Similarity NPD633 Phase 3
0.566 Remote Similarity NPD9448 Phase 2
0.5645 Remote Similarity NPD8971 Approved
0.5645 Remote Similarity NPD539 Approved

Structure

External Identifiers

PubChem CID   10106262
ChEMBL   CHEMBL442810
ZINC  

Physicochemical Properties

Molecular Weight:  252.21
ALogP:  2.0055
MLogP:  3
XLogP:  6.477
# Rotatable Bonds:  14
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  18

Download Data

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