Natural Product: NPC128061

Natural Product ID:  NPC128061
Common Name:   Ethyl Oleate
IUPAC Name:   ethyl (Z)-octadec-9-enoate
Synonyms:   Ethyl Oleate
Molecular Formula:   C20H38O2
Standard InCHIKey:  LVGKNOAMLMIIKO-QXMHVHEDSA-N
Standard InCHI:  InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-
Canonical SMILES:  CCCCCCCC/C=CCCCCCCCC(=O)OCC
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
NPO24288 Radix cynanchi Species Lymnaeidae Eukaryota TCMSP*
NPO9927.2 Crinum asiaticum var. sinicum Varieties Amaryllidaceae Eukaryota TCMID*
NPO24758 Angelica dahurica Species Apiaceae Eukaryota TCMSP*
NPO19092 Morindae officinalis radix NA NA NA TCMSP*
NPO19728 Saxifraga stolonifera Species Saxifragaceae Eukaryota TCMSP*
NPO26439 Folium artemisiae argyi NA NA NA TCMSP*
NPO13506 Sapindi mukorossi semen NA NA NA TCMSP*
NPO28275 Semen firmianae NA NA NA TCMSP*
NPO29656 Phytolaccae radix NA NA NA TCMSP*
NPO13736 Cnidii fructus NA NA NA TCMSP*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCMSP*
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota TCMSP*
NPO25665 Lygodii spora NA NA NA TCMSP*
NPO28276 Artemisia argyi Species Asteraceae Eukaryota TM-MC*
NPO10492 Artemisia montana Species Asteraceae Eukaryota TM-MC*
NPO25094 Artemisia princeps Species Asteraceae Eukaryota TM-MC*
NPO27018 Cynomorium songaricum Species Cynomoriaceae Eukaryota TM-MC*
NPO18932 Melia azedarach Species Meliaceae Eukaryota TM-MC*
NPO18932.1 Melia azedarach var. toosendan Varieties Meliaceae Eukaryota TM-MC*
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota TM-MC*
NPO12796 Periploca sepium Species Apocynaceae Eukaryota TM-MC*
NPO6513 Vernonia condensata Species Asteraceae Eukaryota UNPD*
NPO19048 Pinellia ternata Species Araceae Eukaryota TM-MC*
NPO25424 Putterlickia verrucosa Species Celastraceae Eukaryota UNPD*
NPO21485 Polygala sibirica Species Polygalaceae Eukaryota TM-MC*
NPO3729 Cetraria islandica Species Parmeliaceae Eukaryota UNPD*
NPO27260 Polygala tenuifolia Species Polygalaceae Eukaryota TM-MC*
NPO5786 Desmodium oxyphyllum Species Fabaceae Eukaryota UNPD*
NPO4640 Portulaca oleracea Species Portulacaceae Eukaryota TM-MC*
NPO2777 Cirsium brevistylum Species Asteraceae Eukaryota UNPD*
NPO26650 Terminalia chebula Species Combretaceae Eukaryota TM-MC*
NPO4633 Calypogeia integristipula Species Calypogeiaceae Eukaryota UNPD*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TM-MC*
NPO6701 Cinnamomum camphora Species Lauraceae Eukaryota PMID[25612070]
NPO14558 Aquilaria sinensis Species Thymelaeaceae Eukaryota TCMID*
NPO27 Gentiana dahurica Species Gentianaceae Eukaryota UNPD*
NPO18950 Cephalotaxus fortunei Species Taxaceae Eukaryota TCMID*
NPO26003 Adenophprae ae radix NA NA NA TCMSP*
NPO26967 Phallus impudicus Species Phallaceae Eukaryota TCMID*
NPO4843 Gossampiniflos NA NA NA TCMSP*
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota TCMID*
NPO29715 Litchi chinensis Species Sapindaceae Eukaryota TCMSP*
NPO6947 Astilbe chinensis Species Saxifragaceae Eukaryota TCMID*
NPO11776 Lithospermum erythrorhizon Species Boraginaceae Eukaryota TCMSP*
NPO9927 Crinum asiaticum Species Amaryllidaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 12301.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 968.9 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 173.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21875.1 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 NPC128061 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 NPC10316
1.0 High Similarity NPC200845
1.0 High Similarity NPC223677
1.0 High Similarity NPC28779
0.9608 High Similarity NPC39633
0.9608 High Similarity NPC139545
0.9608 High Similarity NPC71761
0.9608 High Similarity NPC309606
0.9245 High Similarity NPC228473
0.9216 High Similarity NPC262968
0.9107 High Similarity NPC143857
0.9107 High Similarity NPC229252
0.902 High Similarity NPC224227
0.8824 High Similarity NPC207815
0.8793 High Similarity NPC54925
0.8704 High Similarity NPC154245
0.8704 High Similarity NPC85813
0.8704 High Similarity NPC281972
0.8704 High Similarity NPC25417
0.8704 High Similarity NPC424
0.8704 High Similarity NPC261831
0.8704 High Similarity NPC32467
0.8704 High Similarity NPC6095
0.8704 High Similarity NPC290563
0.8704 High Similarity NPC87564
0.8704 High Similarity NPC88966
0.8644 High Similarity NPC328089
0.8644 High Similarity NPC68343
0.8627 High Similarity NPC216130
0.8621 High Similarity NPC201939
0.8519 High Similarity NPC294548
0.8519 High Similarity NPC321062
0.8519 High Similarity NPC139029
0.8519 High Similarity NPC70387
0.8519 High Similarity NPC36061
0.8519 High Similarity NPC1813
0.8462 Intermediate Similarity NPC163345
0.8448 Intermediate Similarity NPC243532
0.8393 Intermediate Similarity NPC18951
0.8393 Intermediate Similarity NPC477201
0.8333 Intermediate Similarity NPC310746
0.8333 Intermediate Similarity NPC92114
0.8333 Intermediate Similarity NPC161366
0.8333 Intermediate Similarity NPC281245
0.8305 Intermediate Similarity NPC320305
0.8305 Intermediate Similarity NPC328776
0.8226 Intermediate Similarity NPC330426
0.8226 Intermediate Similarity NPC475443
0.8226 Intermediate Similarity NPC127091
0.8226 Intermediate Similarity NPC473829
0.8226 Intermediate Similarity NPC271921
0.8226 Intermediate Similarity NPC148192
0.8226 Intermediate Similarity NPC22101
0.8226 Intermediate Similarity NPC104537
0.8136 Intermediate Similarity NPC45097
0.8095 Intermediate Similarity NPC48218
0.8095 Intermediate Similarity NPC473559
0.8095 Intermediate Similarity NPC324981
0.8095 Intermediate Similarity NPC141481
0.807 Intermediate Similarity NPC187777
0.807 Intermediate Similarity NPC179764
0.7969 Intermediate Similarity NPC317583
0.7969 Intermediate Similarity NPC473772
0.7966 Intermediate Similarity NPC274927
0.7966 Intermediate Similarity NPC106851
0.7963 Intermediate Similarity NPC59051
0.7931 Intermediate Similarity NPC225929
0.7903 Intermediate Similarity NPC245947
0.7903 Intermediate Similarity NPC255863
0.7903 Intermediate Similarity NPC326268
0.7903 Intermediate Similarity NPC136164
0.7903 Intermediate Similarity NPC318420
0.7895 Intermediate Similarity NPC52264
0.7895 Intermediate Similarity NPC473863
0.7895 Intermediate Similarity NPC274290
0.7895 Intermediate Similarity NPC54766
0.7846 Intermediate Similarity NPC476660
0.7846 Intermediate Similarity NPC42526
0.7812 Intermediate Similarity NPC218477
0.7778 Intermediate Similarity NPC5413
0.7778 Intermediate Similarity NPC149821
0.7778 Intermediate Similarity NPC250919
0.7742 Intermediate Similarity NPC470320
0.7736 Intermediate Similarity NPC110234
0.7736 Intermediate Similarity NPC44363
0.7736 Intermediate Similarity NPC163751
0.7719 Intermediate Similarity NPC137538
0.7705 Intermediate Similarity NPC321838
0.7656 Intermediate Similarity NPC26500
0.7656 Intermediate Similarity NPC99619
0.7647 Intermediate Similarity NPC236579
0.7647 Intermediate Similarity NPC203531
0.7627 Intermediate Similarity NPC211752
0.7627 Intermediate Similarity NPC323498
0.7627 Intermediate Similarity NPC323597
0.7612 Intermediate Similarity NPC474705
0.7612 Intermediate Similarity NPC470237
0.7593 Intermediate Similarity NPC207292
0.7593 Intermediate Similarity NPC91495
0.7593 Intermediate Similarity NPC180534
0.7586 Intermediate Similarity NPC474672
0.7576 Intermediate Similarity NPC475310
0.7547 Intermediate Similarity NPC239754
0.7541 Intermediate Similarity NPC299730
0.7541 Intermediate Similarity NPC235242
0.7541 Intermediate Similarity NPC122521
0.7541 Intermediate Similarity NPC251042
0.7541 Intermediate Similarity NPC174447
0.75 Intermediate Similarity NPC469373
0.75 Intermediate Similarity NPC474321
0.7463 Intermediate Similarity NPC84038
0.746 Intermediate Similarity NPC226592
0.746 Intermediate Similarity NPC34883
0.7458 Intermediate Similarity NPC327388
0.7455 Intermediate Similarity NPC98284
0.7424 Intermediate Similarity NPC199557
0.7419 Intermediate Similarity NPC174560
0.7419 Intermediate Similarity NPC40082
0.7419 Intermediate Similarity NPC125312
0.7414 Intermediate Similarity NPC87394
0.7391 Intermediate Similarity NPC228978
0.7377 Intermediate Similarity NPC474267
0.7368 Intermediate Similarity NPC18357
0.7368 Intermediate Similarity NPC216407
0.7368 Intermediate Similarity NPC170167
0.7358 Intermediate Similarity NPC47363
0.7358 Intermediate Similarity NPC287231
0.7353 Intermediate Similarity NPC167145
0.7344 Intermediate Similarity NPC476657
0.7344 Intermediate Similarity NPC476654
0.7344 Intermediate Similarity NPC476655
0.7258 Intermediate Similarity NPC81896
0.7258 Intermediate Similarity NPC328311
0.7258 Intermediate Similarity NPC327112
0.7258 Intermediate Similarity NPC321919
0.7255 Intermediate Similarity NPC250028
0.7255 Intermediate Similarity NPC165533
0.7255 Intermediate Similarity NPC12156
0.7255 Intermediate Similarity NPC40597
0.7255 Intermediate Similarity NPC161097
0.7255 Intermediate Similarity NPC149299
0.7255 Intermediate Similarity NPC28598
0.7255 Intermediate Similarity NPC256163
0.7246 Intermediate Similarity NPC330016
0.7231 Intermediate Similarity NPC304665
0.7231 Intermediate Similarity NPC126899
0.7231 Intermediate Similarity NPC476659
0.7231 Intermediate Similarity NPC476656
0.7231 Intermediate Similarity NPC284447
0.7231 Intermediate Similarity NPC154728
0.7222 Intermediate Similarity NPC172042
0.7222 Intermediate Similarity NPC117572
0.7213 Intermediate Similarity NPC267817
0.7213 Intermediate Similarity NPC34416
0.7206 Intermediate Similarity NPC320119
0.7206 Intermediate Similarity NPC186531
0.7193 Intermediate Similarity NPC284212
0.7193 Intermediate Similarity NPC470410
0.7193 Intermediate Similarity NPC28205
0.7193 Intermediate Similarity NPC470412
0.7193 Intermediate Similarity NPC244452
0.7164 Intermediate Similarity NPC296522
0.7164 Intermediate Similarity NPC143396
0.7164 Intermediate Similarity NPC144511
0.7164 Intermediate Similarity NPC470436
0.7143 Intermediate Similarity NPC66460
0.7143 Intermediate Similarity NPC113293
0.7143 Intermediate Similarity NPC324762
0.7143 Intermediate Similarity NPC271282
0.7143 Intermediate Similarity NPC469414
0.7143 Intermediate Similarity NPC325929
0.7143 Intermediate Similarity NPC329826
0.7143 Intermediate Similarity NPC477829
0.7115 Intermediate Similarity NPC53541
0.7101 Intermediate Similarity NPC135703
0.7097 Intermediate Similarity NPC478095
0.7083 Intermediate Similarity NPC218817
0.7083 Intermediate Similarity NPC11796
0.7059 Intermediate Similarity NPC80234
0.7059 Intermediate Similarity NPC472955
0.7059 Intermediate Similarity NPC223249
0.7049 Intermediate Similarity NPC323436
0.7042 Intermediate Similarity NPC474527
0.7042 Intermediate Similarity NPC239127
0.7042 Intermediate Similarity NPC12740
0.7042 Intermediate Similarity NPC471726
0.7042 Intermediate Similarity NPC110461
0.7042 Intermediate Similarity NPC474447
0.7031 Intermediate Similarity NPC29697
0.7018 Intermediate Similarity NPC289388
0.7015 Intermediate Similarity NPC209327
0.7015 Intermediate Similarity NPC134385
0.7015 Intermediate Similarity NPC273508
0.7 Intermediate Similarity NPC477984
0.7 Intermediate Similarity NPC92558
0.7 Intermediate Similarity NPC140287
0.7 Intermediate Similarity NPC474551
0.7 Intermediate Similarity NPC227396
0.7 Intermediate Similarity NPC166797
0.6986 Remote Similarity NPC158565

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC128061 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
0.9216 High Similarity NPD29 Approved
0.9216 High Similarity NPD28 Approved
0.8704 High Similarity NPD3195 Phase 2
0.8704 High Similarity NPD4266 Approved
0.8704 High Similarity NPD3196 Approved
0.8704 High Similarity NPD3194 Approved
0.8627 High Similarity NPD5343 Approved
0.8519 High Similarity NPD3172 Approved
0.8235 Intermediate Similarity NPD3174 Discontinued
0.8039 Intermediate Similarity NPD6096 Approved
0.8039 Intermediate Similarity NPD6097 Approved
0.8033 Intermediate Similarity NPD3197 Phase 1
0.7778 Intermediate Similarity NPD3173 Approved
0.7593 Intermediate Similarity NPD622 Approved
0.7391 Intermediate Similarity NPD8039 Approved
0.7358 Intermediate Similarity NPD2699 Approved
0.7258 Intermediate Similarity NPD4246 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD39 Approved
0.7222 Intermediate Similarity NPD4222 Approved
0.7193 Intermediate Similarity NPD6927 Phase 3
0.697 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6935 Remote Similarity NPD6109 Phase 1
0.6863 Remote Similarity NPD3206 Approved
0.6852 Remote Similarity NPD5326 Phase 3
0.6711 Remote Similarity NPD6435 Approved
0.6667 Remote Similarity NPD6125 Clinical (unspecified phase)
0.6623 Remote Similarity NPD7154 Phase 3
0.6622 Remote Similarity NPD3732 Approved
0.6618 Remote Similarity NPD4247 Clinical (unspecified phase)
0.6579 Remote Similarity NPD5369 Approved
0.6481 Remote Similarity NPD2270 Approved
0.6447 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6447 Remote Similarity NPD5368 Approved
0.641 Remote Similarity NPD5362 Discontinued
0.64 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6324 Remote Similarity NPD2685 Clinical (unspecified phase)
0.629 Remote Similarity NPD3730 Approved
0.629 Remote Similarity NPD3728 Approved
0.6282 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6282 Remote Similarity NPD4269 Approved
0.6282 Remote Similarity NPD4270 Approved
0.6267 Remote Similarity NPD4756 Discovery
0.6234 Remote Similarity NPD4252 Approved
0.6232 Remote Similarity NPD7331 Phase 2
0.6184 Remote Similarity NPD4268 Approved
0.6184 Remote Similarity NPD4271 Approved
0.6176 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6173 Remote Similarity NPD5786 Approved
0.6173 Remote Similarity NPD7521 Approved
0.6173 Remote Similarity NPD5330 Approved
0.6173 Remote Similarity NPD6684 Approved
0.6173 Remote Similarity NPD7334 Approved
0.6173 Remote Similarity NPD6409 Approved
0.6173 Remote Similarity NPD7146 Approved
0.6173 Remote Similarity NPD6422 Discontinued
0.6145 Remote Similarity NPD6101 Approved
0.6145 Remote Similarity NPD5764 Clinical (unspecified phase)
0.614 Remote Similarity NPD3199 Clinical (unspecified phase)
0.6111 Remote Similarity NPD9448 Phase 2
0.6111 Remote Similarity NPD633 Phase 3
0.6049 Remote Similarity NPD5363 Approved
0.6029 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6026 Remote Similarity NPD4822 Approved
0.6026 Remote Similarity NPD4821 Approved
0.6026 Remote Similarity NPD4819 Approved
0.6026 Remote Similarity NPD4820 Approved
0.6024 Remote Similarity NPD5737 Approved
0.6024 Remote Similarity NPD6903 Approved
0.6024 Remote Similarity NPD6672 Approved
0.6024 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6 Remote Similarity NPD7983 Approved
0.6 Remote Similarity NPD3704 Approved
0.6 Remote Similarity NPD6411 Approved
0.593 Remote Similarity NPD5779 Approved
0.593 Remote Similarity NPD5778 Approved
0.5904 Remote Similarity NPD4251 Approved
0.5904 Remote Similarity NPD4250 Approved
0.5882 Remote Similarity NPD3672 Approved
0.5882 Remote Similarity NPD5785 Approved
0.5882 Remote Similarity NPD46 Approved
0.5882 Remote Similarity NPD6698 Approved
0.5882 Remote Similarity NPD3673 Approved
0.5875 Remote Similarity NPD5209 Approved
0.5854 Remote Similarity NPD1694 Approved
0.5854 Remote Similarity NPD1733 Clinical (unspecified phase)
0.5818 Remote Similarity NPD5783 Phase 3
0.5818 Remote Similarity NPD9655 Approved
0.5802 Remote Similarity NPD5332 Approved
0.5802 Remote Similarity NPD5331 Approved
0.5789 Remote Similarity NPD387 Clinical (unspecified phase)
0.5783 Remote Similarity NPD4249 Approved
0.5783 Remote Similarity NPD6098 Approved
0.5781 Remote Similarity NPD3729 Clinical (unspecified phase)
0.5765 Remote Similarity NPD5370 Suspended
0.575 Remote Similarity NPD4790 Discontinued
0.5747 Remote Similarity NPD6399 Phase 3
0.573 Remote Similarity NPD7839 Suspended
0.573 Remote Similarity NPD5349 Clinical (unspecified phase)
0.5714 Remote Similarity NPD3573 Approved
0.5692 Remote Similarity NPD4627 Clinical (unspecified phase)
0.5682 Remote Similarity NPD7900 Approved
0.5682 Remote Similarity NPD7748 Approved
0.5682 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5663 Remote Similarity NPD6082 Clinical (unspecified phase)
0.5652 Remote Similarity NPD3205 Discontinued
0.5652 Remote Similarity NPD6949 Clinical (unspecified phase)
0.5634 Remote Similarity NPD7341 Phase 2
0.5632 Remote Similarity NPD4810 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   5363269
ChEMBL   CHEMBL2106289
ZINC  

Physicochemical Properties

Molecular Weight:  310.29
ALogP:  -1.8413
MLogP:  3.44
XLogP:  8.936
# Rotatable Bonds:  19
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  22

Download Data

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