Natural Product: NPC74845

Natural Product ID:  NPC74845
Common Name:   10-Oxooctadecanoic Acid
IUPAC Name:   10-oxooctadecanoic acid
Synonyms:  
Molecular Formula:   C18H34O3
Standard InCHIKey:  BGKROBBCCGUUCF-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
Canonical SMILES:  CCCCCCCCC(=O)CCCCCCCCC(=O)O
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
NPO24 Gypsophila patrinii Species Caryophyllaceae Eukaryota UNPD*
NPO932 Myrceugenia exsucca Species Myrtaceae Eukaryota UNPD*
NPO10218 Gracilariopsis longissima Species Gracilariaceae Eukaryota UNPD*
NPO23535 Naganishia albida Species Filobasidiaceae Eukaryota UNPD*
NPO4629 Angelica tschimganica Species Apiaceae Eukaryota UNPD*
NPO6508 Dendrilla cactos Species Darwinellidae Eukaryota UNPD*
NPO3722 Litoria subglandulosa Species Hylidae Eukaryota UNPD*
NPO5554 Quercus lanceaefolia Species Fagaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT368 Cell Line SN12C Homo sapiens GI50 25644.84 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 25292.98 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 30269.13 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 33265.96 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 18879.91 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 4092.61 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 19678.86 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 31332.86 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 15452.54 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 23933.16 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 18879.91 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 18836.49 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 14757.07 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 26915.35 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 25061.09 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 24831.33 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 17258.38 nM PubChem BioAssay data set
NPT572 Cell Line DMS-273 Homo sapiens GI50 25292.98 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 61094.2 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 33342.64 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 16180.8 nM PubChem BioAssay data set
NPT573 Cell Line M19-MEL Homo sapiens GI50 47533.52 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 39719.15 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 17298.16 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 25468.3 nM PubChem BioAssay data set
NPT574 Cell Line XF498 Homo sapiens GI50 34197.94 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 32136.61 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 24603.68 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 16710.91 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 50234.26 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 14791.08 nM PubChem BioAssay data set
NPT575 Cell Line KM-20L2 Homo sapiens GI50 25941.79 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 36140.99 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 19724.23 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 37153.52 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 21577.44 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 23933.16 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 28379.19 nM PubChem BioAssay data set
NPT576 Cell Line DMS-114 Homo sapiens GI50 22961.49 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT731 Cell Line LXFL 529 Homo sapiens GI50 27039.58 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 21330.45 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 20090.93 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 34514.37 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 26424.09 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 18663.8 nM PubChem BioAssay data set
NPT577 Cell Line RXF 631 Homo sapiens GI50 20989.4 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 22908.68 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT578 Cell Line SNB-78 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT579 Cell Line DLD-1 Homo sapiens GI50 20137.24 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 28575.91 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 27164.39 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 23014.42 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 36057.86 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 27415.74 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 21777.1 nM PubChem BioAssay data set
NPT732 Cell Line HOP-18 Homo sapiens GI50 19186.69 nM PubChem BioAssay data set

  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 NPC74845 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
0.95 High Similarity NPC149184
0.95 High Similarity NPC171736
0.95 High Similarity NPC209970
0.95 High Similarity NPC216630
0.95 High Similarity NPC196924
0.95 High Similarity NPC307783
0.9268 High Similarity NPC67462
0.9 High Similarity NPC301585
0.9 High Similarity NPC14227
0.9 High Similarity NPC261080
0.9 High Similarity NPC201844
0.9 High Similarity NPC113928
0.9 High Similarity NPC154186
0.9 High Similarity NPC279026
0.9 High Similarity NPC301696
0.8864 High Similarity NPC328497
0.8864 High Similarity NPC324004
0.8837 High Similarity NPC8219
0.8667 High Similarity NPC106872
0.8636 High Similarity NPC30195
0.8636 High Similarity NPC12438
0.8605 High Similarity NPC255837
0.8605 High Similarity NPC19305
0.8537 High Similarity NPC118968
0.8537 High Similarity NPC214610
0.8537 High Similarity NPC183424
0.8537 High Similarity NPC294085
0.8444 Intermediate Similarity NPC21844
0.8409 Intermediate Similarity NPC469781
0.8372 Intermediate Similarity NPC71317
0.8372 Intermediate Similarity NPC129972
0.8372 Intermediate Similarity NPC301528
0.8333 Intermediate Similarity NPC12156
0.8333 Intermediate Similarity NPC28598
0.8333 Intermediate Similarity NPC161097
0.8298 Intermediate Similarity NPC90904
0.8293 Intermediate Similarity NPC268826
0.8261 Intermediate Similarity NPC324793
0.8261 Intermediate Similarity NPC477878
0.825 Intermediate Similarity NPC155263
0.8182 Intermediate Similarity NPC317128
0.814 Intermediate Similarity NPC103286
0.814 Intermediate Similarity NPC163746
0.8085 Intermediate Similarity NPC304162
0.8 Intermediate Similarity NPC47363
0.8 Intermediate Similarity NPC287231
0.8 Intermediate Similarity NPC156630
0.8 Intermediate Similarity NPC55023
0.7955 Intermediate Similarity NPC203531
0.7955 Intermediate Similarity NPC236579
0.7955 Intermediate Similarity NPC289686
0.7872 Intermediate Similarity NPC200618
0.7872 Intermediate Similarity NPC131770
0.7857 Intermediate Similarity NPC22903
0.7857 Intermediate Similarity NPC305660
0.7857 Intermediate Similarity NPC54980
0.7857 Intermediate Similarity NPC201622
0.7826 Intermediate Similarity NPC314679
0.7805 Intermediate Similarity NPC134782
0.7778 Intermediate Similarity NPC76051
0.7708 Intermediate Similarity NPC26253
0.7692 Intermediate Similarity NPC477201
0.7674 Intermediate Similarity NPC219536
0.7674 Intermediate Similarity NPC31551
0.7647 Intermediate Similarity NPC23155
0.7647 Intermediate Similarity NPC469937
0.7647 Intermediate Similarity NPC53463
0.7647 Intermediate Similarity NPC320588
0.7619 Intermediate Similarity NPC109026
0.75 Intermediate Similarity NPC175342
0.75 Intermediate Similarity NPC40597
0.75 Intermediate Similarity NPC149299
0.75 Intermediate Similarity NPC256163
0.75 Intermediate Similarity NPC165533
0.75 Intermediate Similarity NPC250028
0.7451 Intermediate Similarity NPC72722
0.7442 Intermediate Similarity NPC73245
0.74 Intermediate Similarity NPC470412
0.74 Intermediate Similarity NPC470410
0.74 Intermediate Similarity NPC100096
0.7333 Intermediate Similarity NPC248763
0.7333 Intermediate Similarity NPC53541
0.7333 Intermediate Similarity NPC325452
0.7308 Intermediate Similarity NPC154245
0.7308 Intermediate Similarity NPC424
0.7308 Intermediate Similarity NPC85813
0.7308 Intermediate Similarity NPC32467
0.7308 Intermediate Similarity NPC25417
0.7308 Intermediate Similarity NPC87564
0.7308 Intermediate Similarity NPC88966
0.7308 Intermediate Similarity NPC281972
0.7308 Intermediate Similarity NPC261831
0.7308 Intermediate Similarity NPC290563
0.7308 Intermediate Similarity NPC6095
0.7308 Intermediate Similarity NPC87394
0.7273 Intermediate Similarity NPC106851
0.7273 Intermediate Similarity NPC223249
0.7273 Intermediate Similarity NPC274927
0.7273 Intermediate Similarity NPC80234
0.725 Intermediate Similarity NPC76608
0.725 Intermediate Similarity NPC225318
0.725 Intermediate Similarity NPC16578
0.725 Intermediate Similarity NPC149101
0.7209 Intermediate Similarity NPC158179
0.72 Intermediate Similarity NPC55678
0.7143 Intermediate Similarity NPC180534
0.7115 Intermediate Similarity NPC139029
0.7115 Intermediate Similarity NPC1813
0.7115 Intermediate Similarity NPC36061
0.7115 Intermediate Similarity NPC70387
0.7115 Intermediate Similarity NPC321062
0.7115 Intermediate Similarity NPC294548
0.7083 Intermediate Similarity NPC52700
0.7083 Intermediate Similarity NPC145045
0.7083 Intermediate Similarity NPC63182
0.7083 Intermediate Similarity NPC105329
0.7083 Intermediate Similarity NPC166287
0.7073 Intermediate Similarity NPC18224
0.7073 Intermediate Similarity NPC328710
0.7059 Intermediate Similarity NPC287811
0.7037 Intermediate Similarity NPC18951
0.7 Intermediate Similarity NPC168982
0.6964 Remote Similarity NPC469924
0.6964 Remote Similarity NPC470363
0.6939 Remote Similarity NPC326957
0.6923 Remote Similarity NPC281245
0.6923 Remote Similarity NPC18357
0.6923 Remote Similarity NPC92114
0.6905 Remote Similarity NPC127142
0.6905 Remote Similarity NPC7814
0.6889 Remote Similarity NPC3531
0.6875 Remote Similarity NPC273545
0.6863 Remote Similarity NPC50457
0.6842 Remote Similarity NPC235242
0.6842 Remote Similarity NPC251042
0.6842 Remote Similarity NPC122521
0.6842 Remote Similarity NPC243532
0.6842 Remote Similarity NPC174447
0.6818 Remote Similarity NPC252843
0.6818 Remote Similarity NPC128996
0.675 Remote Similarity NPC174368
0.675 Remote Similarity NPC42403
0.675 Remote Similarity NPC153439
0.675 Remote Similarity NPC221192
0.675 Remote Similarity NPC222997
0.675 Remote Similarity NPC79887
0.675 Remote Similarity NPC4962
0.675 Remote Similarity NPC196434
0.675 Remote Similarity NPC29561
0.6744 Remote Similarity NPC317203
0.6731 Remote Similarity NPC262968
0.6727 Remote Similarity NPC179764
0.6727 Remote Similarity NPC187777
0.6724 Remote Similarity NPC201939
0.6724 Remote Similarity NPC469923
0.6724 Remote Similarity NPC40082
0.6667 Remote Similarity NPC476330
0.6667 Remote Similarity NPC326532
0.6667 Remote Similarity NPC17935
0.661 Remote Similarity NPC474552
0.661 Remote Similarity NPC235788
0.6607 Remote Similarity NPC225929
0.6604 Remote Similarity NPC310746
0.66 Remote Similarity NPC249754
0.6591 Remote Similarity NPC80396
0.6591 Remote Similarity NPC474392
0.6591 Remote Similarity NPC80641
0.6591 Remote Similarity NPC154642
0.6591 Remote Similarity NPC474914
0.6552 Remote Similarity NPC469921
0.6545 Remote Similarity NPC54766
0.6545 Remote Similarity NPC473863
0.6545 Remote Similarity NPC274290
0.6538 Remote Similarity NPC224227
0.6538 Remote Similarity NPC59051
0.6512 Remote Similarity NPC57499
0.65 Remote Similarity NPC314103
0.65 Remote Similarity NPC68343
0.65 Remote Similarity NPC38859
0.65 Remote Similarity NPC198118
0.65 Remote Similarity NPC295442
0.65 Remote Similarity NPC328089
0.6481 Remote Similarity NPC139545
0.6481 Remote Similarity NPC39633
0.6481 Remote Similarity NPC309606
0.6471 Remote Similarity NPC216130
0.6458 Remote Similarity NPC176500
0.6444 Remote Similarity NPC74352
0.6429 Remote Similarity NPC268596
0.6415 Remote Similarity NPC314084
0.64 Remote Similarity NPC308301
0.6393 Remote Similarity NPC245947
0.6393 Remote Similarity NPC136164
0.6393 Remote Similarity NPC255863
0.6393 Remote Similarity NPC318420
0.6393 Remote Similarity NPC326268
0.6393 Remote Similarity NPC230047
0.6393 Remote Similarity NPC469791
0.6393 Remote Similarity NPC19311
0.6379 Remote Similarity NPC475821

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC74845 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
0.95 High Similarity NPD2270 Approved
0.9 High Similarity NPD9448 Phase 2
0.9 High Similarity NPD633 Phase 3
0.8837 High Similarity NPD3199 Clinical (unspecified phase)
0.875 High Similarity NPD3206 Approved
0.8537 High Similarity NPD9655 Approved
0.8 Intermediate Similarity NPD2699 Approved
0.7826 Intermediate Similarity NPD634 Phase 3
0.7647 Intermediate Similarity NPD3728 Approved
0.7647 Intermediate Similarity NPD3729 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD3730 Approved
0.76 Intermediate Similarity NPD3186 Phase 1
0.7308 Intermediate Similarity NPD3194 Approved
0.7308 Intermediate Similarity NPD3195 Phase 2
0.7308 Intermediate Similarity NPD3196 Approved
0.7308 Intermediate Similarity NPD4266 Approved
0.7308 Intermediate Similarity NPD615 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD387 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD622 Approved
0.7143 Intermediate Similarity NPD6125 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD3172 Approved
0.7083 Intermediate Similarity NPD9430 Approved
0.7083 Intermediate Similarity NPD9431 Approved
0.6964 Remote Similarity NPD3198 Approved
0.6905 Remote Similarity NPD8857 Approved
0.6889 Remote Similarity NPD9450 Approved
0.6889 Remote Similarity NPD77 Approved
0.6731 Remote Similarity NPD29 Approved
0.6731 Remote Similarity NPD28 Approved
0.6667 Remote Similarity NPD9513 Phase 1
0.65 Remote Similarity NPD3197 Phase 1
0.65 Remote Similarity NPD7909 Approved
0.6471 Remote Similarity NPD2266 Phase 2
0.6444 Remote Similarity NPD9449 Clinical (unspecified phase)
0.6415 Remote Similarity NPD9638 Phase 2
0.6346 Remote Similarity NPD3173 Approved
0.629 Remote Similarity NPD4224 Phase 2
0.6279 Remote Similarity NPD5383 Approved
0.6279 Remote Similarity NPD2272 Approved
0.6061 Remote Similarity NPD6081 Approved
0.6042 Remote Similarity NPD9635 Discontinued
0.6 Remote Similarity NPD9447 Approved
0.5952 Remote Similarity NPD62 Approved
0.5902 Remote Similarity NPD9676 Phase 3
0.5873 Remote Similarity NPD7341 Phase 2
0.5821 Remote Similarity NPD2256 Clinical (unspecified phase)
0.5814 Remote Similarity NPD8590 Approved
0.5806 Remote Similarity NPD2664 Clinical (unspecified phase)
0.5781 Remote Similarity NPD7331 Phase 2
0.5769 Remote Similarity NPD4222 Approved
0.5769 Remote Similarity NPD39 Approved
0.5769 Remote Similarity NPD3174 Discontinued
0.5738 Remote Similarity NPD4246 Clinical (unspecified phase)
0.5738 Remote Similarity NPD9656 Approved
0.5686 Remote Similarity NPD9019 Approved
0.5652 Remote Similarity NPD6113 Clinical (unspecified phase)
0.5625 Remote Similarity NPD3171 Clinical (unspecified phase)
0.5606 Remote Similarity NPD5361 Clinical (unspecified phase)
0.5606 Remote Similarity NPD5360 Phase 3

Structure

External Identifiers

PubChem CID   361941
ChEMBL   CHEMBL1994343
ZINC  

Physicochemical Properties

Molecular Weight:  298.25
ALogP:  -3.8039
MLogP:  3.11
XLogP:  6.214
# Rotatable Bonds:  18
Polar Surface Area:  54.37
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  21

Download Data

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