Natural Product: NPC155880

Natural Product ID:  NPC155880
Common Name:   (6Z,9Z)-Pentadecadien-2-One
IUPAC Name:   (6Z,9Z)-pentadeca-6,9-dien-2-one
Synonyms:  
Molecular Formula:   C15H26O
Standard InCHIKey:  PBWOSGBKOJCBNQ-NQLNTKRDSA-N
Standard InCHI:  InChI=1S/C15H26O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h7-8,10-11H,3-6,9,12-14H2,1-2H3/b8-7-,11-10-
Canonical SMILES:  CCCCC/C=CC/C=CCCCC(=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
NPO5141 Lindera benzoin Species Lauraceae Eukaryota PMID[1602301]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT83 Cell Line MCF7 Homo sapiens ED50 > 10 ug/ml 20363142
NPT139 Cell Line HT-29 Homo sapiens ED50 = 10 ug/ml 19548690
NPT176 Organism Artemia salina Artemia salina LC50 = 2.9 ppm 19473031
NPT81 Cell Line A549 Homo sapiens ED50 > 10 ug/ml 12353636

  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 NPC155880 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
1.0 High Similarity NPC92863
0.8649 High Similarity NPC185839
0.8421 Intermediate Similarity NPC180840
0.8378 Intermediate Similarity NPC38497
0.8205 Intermediate Similarity NPC217923
0.814 Intermediate Similarity NPC100380
0.8 Intermediate Similarity NPC113082
0.7857 Intermediate Similarity NPC301972
0.7692 Intermediate Similarity NPC220061
0.7674 Intermediate Similarity NPC25771
0.7609 Intermediate Similarity NPC15325
0.7556 Intermediate Similarity NPC324812
0.75 Intermediate Similarity NPC239754
0.75 Intermediate Similarity NPC191337
0.7447 Intermediate Similarity NPC477458
0.7442 Intermediate Similarity NPC216921
0.7442 Intermediate Similarity NPC292463
0.7391 Intermediate Similarity NPC145311
0.7333 Intermediate Similarity NPC110234
0.7333 Intermediate Similarity NPC163751
0.7333 Intermediate Similarity NPC471752
0.7333 Intermediate Similarity NPC262558
0.7333 Intermediate Similarity NPC44363
0.7333 Intermediate Similarity NPC8610
0.7273 Intermediate Similarity NPC477686
0.7273 Intermediate Similarity NPC145755
0.7273 Intermediate Similarity NPC267514
0.725 Intermediate Similarity NPC24833
0.7234 Intermediate Similarity NPC474391
0.7234 Intermediate Similarity NPC32351
0.7174 Intermediate Similarity NPC91495
0.7174 Intermediate Similarity NPC91962
0.7143 Intermediate Similarity NPC37644
0.7111 Intermediate Similarity NPC474202
0.7111 Intermediate Similarity NPC474362
0.7111 Intermediate Similarity NPC117572
0.7083 Intermediate Similarity NPC27438
0.7045 Intermediate Similarity NPC106819
0.7021 Intermediate Similarity NPC5413
0.7021 Intermediate Similarity NPC149821
0.7 Intermediate Similarity NPC322461
0.6977 Remote Similarity NPC270170
0.6977 Remote Similarity NPC7754
0.6977 Remote Similarity NPC33489
0.6957 Remote Similarity NPC195246
0.6957 Remote Similarity NPC22098
0.6957 Remote Similarity NPC276009
0.6923 Remote Similarity NPC12889
0.6905 Remote Similarity NPC33761
0.6889 Remote Similarity NPC471753
0.6875 Remote Similarity NPC59051
0.6875 Remote Similarity NPC58970
0.6875 Remote Similarity NPC118788
0.6875 Remote Similarity NPC224227
0.6875 Remote Similarity NPC163984
0.6875 Remote Similarity NPC176819
0.6818 Remote Similarity NPC287397
0.6818 Remote Similarity NPC298710
0.6818 Remote Similarity NPC208936
0.6818 Remote Similarity NPC67920
0.6809 Remote Similarity NPC207292
0.68 Remote Similarity NPC284224
0.68 Remote Similarity NPC296311
0.68 Remote Similarity NPC61177
0.68 Remote Similarity NPC268564
0.68 Remote Similarity NPC45283
0.6757 Remote Similarity NPC34671
0.6757 Remote Similarity NPC155900
0.675 Remote Similarity NPC269641
0.6744 Remote Similarity NPC111474
0.6744 Remote Similarity NPC48930
0.6739 Remote Similarity NPC166788
0.6735 Remote Similarity NPC28205
0.6735 Remote Similarity NPC48162
0.6735 Remote Similarity NPC64866
0.6735 Remote Similarity NPC262968
0.6731 Remote Similarity NPC477201
0.6731 Remote Similarity NPC325977
0.6667 Remote Similarity NPC63396
0.6667 Remote Similarity NPC266979
0.6667 Remote Similarity NPC130923
0.6667 Remote Similarity NPC270796
0.6667 Remote Similarity NPC163345
0.6667 Remote Similarity NPC267110
0.6667 Remote Similarity NPC202850
0.66 Remote Similarity NPC281245
0.66 Remote Similarity NPC92114
0.66 Remote Similarity NPC471751
0.6596 Remote Similarity NPC236355
0.6596 Remote Similarity NPC42304
0.6596 Remote Similarity NPC14917
0.6596 Remote Similarity NPC4079
0.6538 Remote Similarity NPC275472
0.6531 Remote Similarity NPC228776
0.6531 Remote Similarity NPC225974
0.6522 Remote Similarity NPC114841
0.6512 Remote Similarity NPC15934
0.6486 Remote Similarity NPC138325
0.6481 Remote Similarity NPC311852
0.6471 Remote Similarity NPC474141
0.6471 Remote Similarity NPC36061
0.6471 Remote Similarity NPC39633
0.6471 Remote Similarity NPC321062
0.6471 Remote Similarity NPC1813
0.6471 Remote Similarity NPC294548
0.6471 Remote Similarity NPC217188
0.6471 Remote Similarity NPC70387
0.6471 Remote Similarity NPC309606
0.6471 Remote Similarity NPC139029
0.6471 Remote Similarity NPC139545
0.6458 Remote Similarity NPC471958
0.6429 Remote Similarity NPC279300
0.6415 Remote Similarity NPC473733
0.6415 Remote Similarity NPC327388
0.641 Remote Similarity NPC151719
0.64 Remote Similarity NPC178586
0.64 Remote Similarity NPC284212
0.64 Remote Similarity NPC234829
0.6364 Remote Similarity NPC329550
0.6364 Remote Similarity NPC274927
0.6364 Remote Similarity NPC12319
0.6364 Remote Similarity NPC101147
0.6364 Remote Similarity NPC106851
0.6364 Remote Similarity NPC123357
0.6364 Remote Similarity NPC323278
0.6364 Remote Similarity NPC18205
0.6346 Remote Similarity NPC32467
0.6346 Remote Similarity NPC137538
0.6346 Remote Similarity NPC25417
0.6346 Remote Similarity NPC6095
0.6346 Remote Similarity NPC424
0.6346 Remote Similarity NPC85813
0.6346 Remote Similarity NPC261831
0.6346 Remote Similarity NPC88966
0.6346 Remote Similarity NPC290563
0.6346 Remote Similarity NPC154245
0.6346 Remote Similarity NPC281972
0.6346 Remote Similarity NPC300121
0.6346 Remote Similarity NPC87564
0.6346 Remote Similarity NPC189677
0.6316 Remote Similarity NPC138113
0.6296 Remote Similarity NPC323498
0.6296 Remote Similarity NPC267626
0.6296 Remote Similarity NPC323597
0.6296 Remote Similarity NPC230823
0.6296 Remote Similarity NPC193695
0.6296 Remote Similarity NPC49575
0.6296 Remote Similarity NPC115385
0.6296 Remote Similarity NPC323436
0.6296 Remote Similarity NPC211752
0.6296 Remote Similarity NPC55004
0.6279 Remote Similarity NPC34873
0.6279 Remote Similarity NPC40434
0.6275 Remote Similarity NPC216407
0.6275 Remote Similarity NPC129458
0.6275 Remote Similarity NPC151919
0.625 Remote Similarity NPC174447
0.625 Remote Similarity NPC229252
0.625 Remote Similarity NPC122521
0.625 Remote Similarity NPC143857
0.625 Remote Similarity NPC235242
0.625 Remote Similarity NPC251042
0.6226 Remote Similarity NPC28779
0.6226 Remote Similarity NPC223677
0.6226 Remote Similarity NPC200845
0.6226 Remote Similarity NPC128061
0.6226 Remote Similarity NPC474672
0.6226 Remote Similarity NPC274290
0.6226 Remote Similarity NPC10316
0.6226 Remote Similarity NPC473863
0.6226 Remote Similarity NPC477984
0.6226 Remote Similarity NPC228473
0.6226 Remote Similarity NPC52264
0.6222 Remote Similarity NPC188596
0.62 Remote Similarity NPC27264
0.62 Remote Similarity NPC116906
0.62 Remote Similarity NPC473487
0.62 Remote Similarity NPC288381
0.62 Remote Similarity NPC20934
0.619 Remote Similarity NPC75204
0.6182 Remote Similarity NPC30215
0.6182 Remote Similarity NPC94991
0.6182 Remote Similarity NPC266295
0.6154 Remote Similarity NPC225066
0.6154 Remote Similarity NPC10081
0.6154 Remote Similarity NPC14002
0.6154 Remote Similarity NPC23117
0.6154 Remote Similarity NPC71761
0.6154 Remote Similarity NPC60288
0.614 Remote Similarity NPC40082
0.6122 Remote Similarity NPC216130
0.6111 Remote Similarity NPC179764
0.6111 Remote Similarity NPC187777
0.6111 Remote Similarity NPC20603
0.6111 Remote Similarity NPC18951
0.6111 Remote Similarity NPC88325
0.6087 Remote Similarity NPC209279
0.6087 Remote Similarity NPC51758
0.6087 Remote Similarity NPC180871
0.6087 Remote Similarity NPC68889

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC155880 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
0.8205 Intermediate Similarity NPD5783 Phase 3
0.75 Intermediate Similarity NPD3174 Discontinued
0.7111 Intermediate Similarity NPD4222 Approved
0.7111 Intermediate Similarity NPD39 Approved
0.7021 Intermediate Similarity NPD3173 Approved
0.6809 Remote Similarity NPD5343 Approved
0.6735 Remote Similarity NPD29 Approved
0.6735 Remote Similarity NPD28 Approved
0.6667 Remote Similarity NPD5326 Phase 3
0.6522 Remote Similarity NPD6097 Approved
0.6522 Remote Similarity NPD6096 Approved
0.6471 Remote Similarity NPD3172 Approved
0.6346 Remote Similarity NPD4266 Approved
0.6346 Remote Similarity NPD3196 Approved
0.6346 Remote Similarity NPD3194 Approved
0.6346 Remote Similarity NPD3195 Phase 2
0.5965 Remote Similarity NPD4246 Clinical (unspecified phase)
0.5893 Remote Similarity NPD287 Approved
0.58 Remote Similarity NPD622 Approved
0.5769 Remote Similarity NPD6927 Phase 3
0.5741 Remote Similarity NPD539 Approved
0.5738 Remote Similarity NPD6108 Clinical (unspecified phase)
0.5714 Remote Similarity NPD8779 Phase 3
0.5686 Remote Similarity NPD4220 Pre-registration
0.5667 Remote Similarity NPD3197 Phase 1
0.5636 Remote Similarity NPD4627 Clinical (unspecified phase)
0.5614 Remote Similarity NPD6109 Phase 1

Structure

External Identifiers

PubChem CID   6440609
ChEMBL   CHEMBL500066
ZINC  

Physicochemical Properties

Molecular Weight:  222.20
ALogP:  0.1894
MLogP:  3
XLogP:  5.854
# Rotatable Bonds:  12
Polar Surface Area:  17.07
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  16

Download Data

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