Natural Product: NPC236579

Natural Product ID:  NPC236579
Common Name:   Ethyl Hexadecanoate
IUPAC Name:   ethyl hexadecanoate
Synonyms:  
Molecular Formula:   C18H36O2
Standard InCHIKey:  XIRNKXNNONJFQO-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3
Canonical SMILES:  CCCCCCCCCCCCCCCC(=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
NPO29575 Ardisiae japonicae herba NA NA NA TCMSP*
NPO28184 Folium nelumbinis NA NA NA TCMSP*
NPO26277 Euphorbia hirta Species Euphorbiaceae Eukaryota TM-MC*
NPO9927 Crinum asiaticum Species Amaryllidaceae Eukaryota TCMID*
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TCM_Taiwan*
NPO16497 Trichosanthes kirilowii maxim Species Cucurbitaceae Eukaryota TCMSP*
NPO29653 Hippophae fructus Species Elaeagnaceae Eukaryota TCMSP*
NPO17755 Inula helenium Species Asteraceae Eukaryota TM-MC*
NPO21707 Trichosanthes kirilowii Species Cucurbitaceae Eukaryota TCMID*
NPO25645 Flos lonicerae Species Lycaenidae Eukaryota HerDing*
NPO29640 Schizonepetae spica NA NA NA TCMSP*
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota TM-MC*
NPO7510 Ixora chinensis Species Rubiaceae Eukaryota TCMID*
NPO27018 Cynomorium songaricum Species Cynomoriaceae Eukaryota HerDing*
NPO2811 Calyx seu fructus physalis Species Phloeodictyidae Eukaryota TCMSP*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota TM-MC*
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota TCMID*
NPO28777 Ardisiae japonicae NA NA NA HerDing*
NPO7727 Momordicae fructus NA NA NA TCMSP*
NPO18932 Melia azedarach Species Meliaceae Eukaryota TM-MC*
NPO27018 Cynomorium songaricum Species Cynomoriaceae Eukaryota TCMID*
NPO31073 Ligusticum chuanxiong Species Apiaceae Eukaryota TCM_Taiwan*
NPO18744 Verbenae herb NA NA NA TCMSP*
NPO18932.1 Melia azedarach var. toosendan Varieties Meliaceae Eukaryota TM-MC*
NPO6947 Astilbe chinensis Species Saxifragaceae Eukaryota TCMID*
NPO31073 Ligusticum chuanxiong Species Apiaceae Eukaryota HerDing*
NPO17237 Ephedra herba Species Ephedraceae Eukaryota TCMSP*
NPO12182 Murraya exotica Species Rutaceae Eukaryota TM-MC*
NPO26967 Phallus impudicus Species Phallaceae Eukaryota TCMID*
NPO6237 Cryptocarya aschersoniana Species Lauraceae Eukaryota UNPD*
NPO6729 Juniperus brevifolia Species Cupressaceae Eukaryota UNPD*
NPO8381 Curculiginis rhizome NA NA NA TCMSP*
NPO2715 Murraya paniculata Species Rutaceae Eukaryota TM-MC*
NPO23674 Jatropha curcas Species Euphorbiaceae Eukaryota TCMID*
NPO5196 Eupatorium argentinum Species Asteraceae Eukaryota UNPD*
NPO29679 Lycii fructus NA NA NA TCMSP*
NPO29593 Prunellae spica NA NA NA TCMSP*
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota TM-MC*
NPO10608 Exodermis poria NA NA NA TCMID*
NPO4633 Calypogeia integristipula Species Calypogeiaceae Eukaryota UNPD*
NPO29598 Mahoniae caulis NA NA NA TCMSP*
NPO20357 Millettiae speciosae radix NA NA NA TCMSP*
NPO3478 Nelumbo nucifera Species Nelumbonaceae Eukaryota TM-MC*
NPO5986.2 Ziziphus jujuba var. spinosa Varieties Rhamnaceae Eukaryota TCMID*
NPO5155 Peritassa compta Species Celastraceae Eukaryota UNPD*
NPO24288 Radix cynanchi Species Lymnaeidae Eukaryota TCMSP*
NPO25665 Lygodii spora NA NA NA TCMSP*
NPO12796 Periploca sepium Species Apocynaceae Eukaryota TM-MC*
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota TCMID*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota UNPD*
NPO29603 Saussureae involucratae herba NA NA NA TCMSP*
NPO11872 Eleutherococcus senticosus Species Araliaceae Eukaryota TM-MC*
NPO19048 Pinellia ternata Species Araceae Eukaryota TM-MC*
NPO25424 Putterlickia verrucosa Species Celastraceae Eukaryota UNPD*
NPO3729 Cetraria islandica Species Parmeliaceae Eukaryota UNPD*
NPO12208 Allii fistulost bulbus NA NA NA TCMSP*
NPO12265 Aquilaria agallochum Species Thymelaeaceae Eukaryota TM-MC*
NPO28928 Piper nigrum Species Piperaceae Eukaryota TM-MC*
NPO6092 Symphyocladia latiuscula Species Rhodomelaceae Eukaryota UNPD*
NPO19689 Radix cirsii japonici Species Lymnaeidae Eukaryota TCMSP*
NPO14558 Aquilaria sinensis Species Thymelaeaceae Eukaryota TM-MC*
NPO21485 Polygala sibirica Species Polygalaceae Eukaryota TM-MC*
NPO471 Ardisia neriifolia Species Primulaceae Eukaryota UNPD*
NPO19092 Morindae officinalis radix NA NA NA TCMSP*
NPO28276 Artemisia argyi Species Asteraceae Eukaryota TM-MC*
NPO27260 Polygala tenuifolia Species Polygalaceae Eukaryota TM-MC*
NPO19948 Neolentinus lepideus Species Gloeophyllaceae Eukaryota UNPD*
NPO5446 Campsis flos Species Bignoniaceae Eukaryota TCMSP*
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota TM-MC*
NPO13524 Pyrola japonica Species Ericaceae Eukaryota TM-MC*
NPO7569 Guatteria boliviana Species Annonaceae Eukaryota UNPD*
NPO3597 Rheedia acuminata Species Clusiaceae Eukaryota UNPD*
NPO375 Coicis semen NA NA NA TCMSP*
NPO10492 Artemisia montana Species Asteraceae Eukaryota TM-MC*
NPO10903 Sinopodophyllum hexandrum Species Berberidaceae Eukaryota TM-MC*
NPO3699 Acacia aulacocarpa Species Fabaceae Eukaryota UNPD*
NPO8418 Anemone flaccida Species Ranunculaceae Eukaryota UNPD*
NPO19728 Saxifraga stolonifera Species Saxifragaceae Eukaryota TCMSP*
NPO25094 Artemisia princeps Species Asteraceae Eukaryota TM-MC*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TM-MC*
NPO5786 Desmodium oxyphyllum Species Fabaceae Eukaryota UNPD*
NPO2777 Cirsium brevistylum Species Asteraceae Eukaryota UNPD*
NPO19707 Gynostemmae pentaphylli herba NA NA NA TCMSP*
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota TM-MC*
NPO29438 Radix chuanxiong Species Lymnaeidae Eukaryota TCMID*
NPO4823 Psiadia dentata Species Asteraceae Eukaryota UNPD*
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TCMSP*
NPO29654 Lonicerae japonicae flos NA NA NA TCMSP*
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota TM-MC*
NPO22834 Rhizoma chuanxiong NA NA NA TCMID*
NPO6513 Vernonia condensata Species Asteraceae Eukaryota UNPD*
NPO26003 Adenophprae ae radix NA NA NA TCMSP*
NPO25951 Chuanxiong rhizoma NA NA NA TCMSP*
NPO22033 Cnidium officinale Species Apiaceae Eukaryota TM-MC*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota TCMID*
NPO3853 Aspidosperma subincanum Species Apocynaceae Eukaryota UNPD*
NPO22397 Equiseti hiemalis herba NA NA NA TCMSP*
NPO6265 Toosendan fructus NA NA NA TCMSP*
NPO9445 Crocus sativus Species Iridaceae Eukaryota TM-MC*
NPO14105.2 Panax pseudo-ginseng var. notoginseng Varieties Araliaceae Eukaryota TCMID*
NPO27 Gentiana dahurica Species Gentianaceae Eukaryota UNPD*
NPO4843 Gossampiniflos NA NA NA TCMSP*
NPO26439 Folium artemisiae argyi NA NA NA TCMSP*
NPO4460 Vincetoxicum glaucescens Species Apocynaceae Eukaryota TM-MC*
NPO9927.2 Crinum asiaticum var. sinicum Varieties Amaryllidaceae Eukaryota TCMID*
NPO11193 Cyperus esculentus Species Cyperaceae Eukaryota PMID[22936608]
NPO29581 Dalbergiae odoriferae lignum NA NA NA TCMSP*
NPO28275 Semen firmianae NA NA NA TCMSP*
NPO2761 Cynanchum stauntoni Species Apocynaceae Eukaryota TM-MC*
NPO1960 Lygodium japonicum Species Lygodiaceae Eukaryota TCMID*
NPO14105.3 Panax pseudo-ginseng wall. var. notoginseng (burk.) hoo et tseng Varieties Araliaceae Eukaryota TCM_Taiwan*
NPO19113 Curcumaelongae rhizoma NA NA NA TCMSP*
NPO29546 Eriobotryae folium NA NA NA TCMSP*
NPO10366 Vincetoxicum stauntonii Species Apocynaceae Eukaryota TM-MC*
NPO16741 Codonopsis pilosula Species Campanulaceae Eukaryota TCMID*
NPO27018 Cynomorium songaricum Species Cynomoriaceae Eukaryota TM-MC*
NPO16850 Eucommia ulmoides Species Eucommiaceae Eukaryota TCMID*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota TCM_Taiwan*
NPO29726 Impatientis semen NA NA NA TCMSP*
NPO9158 Mahoniae folum NA NA NA TCMSP*
NPO22234 Ficus carica Species Moraceae Eukaryota TCMID*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota HerDing*
NPO29608 Ranunculi ternati radix NA NA NA TCMSP*
NPO29656 Phytolaccae radix NA NA NA TCMSP*
NPO28777 Ardisiae japonicae NA NA NA TCMID*
NPO16741 Codonopsis pilosula Species Campanulaceae Eukaryota TCM_Taiwan*
NPO298 Isatdis radix NA NA NA TCMSP*
NPO13736 Cnidii fructus NA NA NA TCMSP*
NPO27661 Radix codonopsis pilosulae Species Lymnaeidae Eukaryota TCMID*
NPO16741 Codonopsis pilosula Species Campanulaceae Eukaryota HerDing*
NPO4737 Arum ternatum thunb Species Araceae Eukaryota TCMSP*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCMSP*
NPO7170 Tylophora ovata Species Apocynaceae Eukaryota TCMID*
NPO17024 Vitis vinifera Species Vitaceae Eukaryota PMID[25518943]
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCMSP*
NPO29547 Broussonetiae fructus NA NA NA TCMSP*
NPO5032 Lagerstroemia speciosa Species Lythraceae Eukaryota TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[21386183]
NPO13519 Crotonis fructus NA NA NA TCMSP*
NPO18195 Maydis seigma NA NA NA TCMSP*
NPO25645 Flos lonicerae Species Lycaenidae Eukaryota TCMID*
NPO21707 Trichosanthes kirilowii Species Cucurbitaceae Eukaryota HerDing*
NPO29545 Capsici fructus NA NA NA TCMSP*
NPO29719 Ginkgo biloba Species Ginkgoaceae Eukaryota TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 776.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9.7 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 NPC236579 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 NPC203531
0.9512 High Similarity NPC47363
0.9512 High Similarity NPC287231
0.9487 High Similarity NPC250028
0.9487 High Similarity NPC149299
0.9487 High Similarity NPC40597
0.9487 High Similarity NPC165533
0.9487 High Similarity NPC161097
0.9487 High Similarity NPC256163
0.9487 High Similarity NPC28598
0.9487 High Similarity NPC12156
0.925 High Similarity NPC53541
0.9231 High Similarity NPC223249
0.9231 High Similarity NPC80234
0.8974 High Similarity NPC305660
0.8974 High Similarity NPC201622
0.8974 High Similarity NPC54980
0.8974 High Similarity NPC22903
0.8837 High Similarity NPC30195
0.8837 High Similarity NPC12438
0.881 High Similarity NPC317128
0.875 High Similarity NPC219536
0.875 High Similarity NPC31551
0.8718 High Similarity NPC128996
0.8667 High Similarity NPC26253
0.8478 Intermediate Similarity NPC55678
0.8462 Intermediate Similarity NPC154642
0.8462 Intermediate Similarity NPC80641
0.8462 Intermediate Similarity NPC80396
0.8444 Intermediate Similarity NPC106872
0.8409 Intermediate Similarity NPC145045
0.8409 Intermediate Similarity NPC105329
0.8409 Intermediate Similarity NPC63182
0.8409 Intermediate Similarity NPC52700
0.8333 Intermediate Similarity NPC171736
0.8333 Intermediate Similarity NPC216630
0.8333 Intermediate Similarity NPC307783
0.8333 Intermediate Similarity NPC196924
0.8333 Intermediate Similarity NPC209970
0.8333 Intermediate Similarity NPC149184
0.8298 Intermediate Similarity NPC287811
0.8222 Intermediate Similarity NPC326957
0.8222 Intermediate Similarity NPC324004
0.8222 Intermediate Similarity NPC249754
0.8222 Intermediate Similarity NPC328497
0.8205 Intermediate Similarity NPC301398
0.8205 Intermediate Similarity NPC86545
0.8205 Intermediate Similarity NPC223374
0.8205 Intermediate Similarity NPC196442
0.8205 Intermediate Similarity NPC156630
0.8182 Intermediate Similarity NPC273545
0.814 Intermediate Similarity NPC67462
0.8125 Intermediate Similarity NPC310746
0.8 Intermediate Similarity NPC308301
0.7955 Intermediate Similarity NPC74845
0.7949 Intermediate Similarity NPC286498
0.7949 Intermediate Similarity NPC154396
0.7857 Intermediate Similarity NPC201844
0.7857 Intermediate Similarity NPC279026
0.7857 Intermediate Similarity NPC113928
0.7857 Intermediate Similarity NPC301585
0.7857 Intermediate Similarity NPC261080
0.7857 Intermediate Similarity NPC14227
0.7857 Intermediate Similarity NPC154186
0.7857 Intermediate Similarity NPC81263
0.7857 Intermediate Similarity NPC301696
0.78 Intermediate Similarity NPC23155
0.78 Intermediate Similarity NPC320588
0.78 Intermediate Similarity NPC469937
0.78 Intermediate Similarity NPC53463
0.7778 Intermediate Similarity NPC8219
0.7727 Intermediate Similarity NPC176500
0.7708 Intermediate Similarity NPC305182
0.7708 Intermediate Similarity NPC90904
0.7692 Intermediate Similarity NPC322892
0.7692 Intermediate Similarity NPC286695
0.7647 Intermediate Similarity NPC128061
0.7647 Intermediate Similarity NPC28779
0.7647 Intermediate Similarity NPC200845
0.7647 Intermediate Similarity NPC10316
0.7647 Intermediate Similarity NPC223677
0.7556 Intermediate Similarity NPC255837
0.7556 Intermediate Similarity NPC19305
0.7551 Intermediate Similarity NPC314084
0.75 Intermediate Similarity NPC250919
0.75 Intermediate Similarity NPC304162
0.75 Intermediate Similarity NPC57499
0.7447 Intermediate Similarity NPC21844
0.7442 Intermediate Similarity NPC294085
0.7442 Intermediate Similarity NPC118968
0.7442 Intermediate Similarity NPC183424
0.7442 Intermediate Similarity NPC214610
0.7436 Intermediate Similarity NPC40965
0.7436 Intermediate Similarity NPC12904
0.7391 Intermediate Similarity NPC469781
0.7381 Intermediate Similarity NPC14608
0.7333 Intermediate Similarity NPC301528
0.7333 Intermediate Similarity NPC71317
0.7333 Intermediate Similarity NPC129972
0.7317 Intermediate Similarity NPC289344
0.7317 Intermediate Similarity NPC155872
0.7292 Intermediate Similarity NPC131770
0.7292 Intermediate Similarity NPC216130
0.7292 Intermediate Similarity NPC200618
0.7292 Intermediate Similarity NPC477878
0.7292 Intermediate Similarity NPC324793
0.7255 Intermediate Similarity NPC139545
0.7255 Intermediate Similarity NPC71761
0.7255 Intermediate Similarity NPC309606
0.7255 Intermediate Similarity NPC39633
0.7234 Intermediate Similarity NPC282440
0.7209 Intermediate Similarity NPC268826
0.7143 Intermediate Similarity NPC155263
0.7111 Intermediate Similarity NPC103286
0.7111 Intermediate Similarity NPC163746
0.7091 Intermediate Similarity NPC470363
0.7073 Intermediate Similarity NPC49615
0.7059 Intermediate Similarity NPC161366
0.7045 Intermediate Similarity NPC94368
0.7021 Intermediate Similarity NPC55023
0.6981 Remote Similarity NPC228473
0.6964 Remote Similarity NPC45097
0.6964 Remote Similarity NPC229252
0.6964 Remote Similarity NPC143857
0.6875 Remote Similarity NPC314679
0.6875 Remote Similarity NPC172042
0.6863 Remote Similarity NPC262968
0.6863 Remote Similarity NPC100096
0.6829 Remote Similarity NPC147054
0.6818 Remote Similarity NPC316546
0.6809 Remote Similarity NPC76051
0.68 Remote Similarity NPC223675
0.6786 Remote Similarity NPC226602
0.6786 Remote Similarity NPC472019
0.6786 Remote Similarity NPC472020
0.6744 Remote Similarity NPC134782
0.6724 Remote Similarity NPC235788
0.6724 Remote Similarity NPC54925
0.6667 Remote Similarity NPC224227
0.6667 Remote Similarity NPC472021
0.661 Remote Similarity NPC314103
0.661 Remote Similarity NPC68343
0.661 Remote Similarity NPC328089
0.6604 Remote Similarity NPC72722
0.66 Remote Similarity NPC68577
0.66 Remote Similarity NPC13105
0.6585 Remote Similarity NPC76608
0.6585 Remote Similarity NPC254713
0.6585 Remote Similarity NPC49151
0.6585 Remote Similarity NPC225318
0.6585 Remote Similarity NPC16578
0.6585 Remote Similarity NPC179831
0.6585 Remote Similarity NPC261991
0.6585 Remote Similarity NPC262505
0.6585 Remote Similarity NPC149101
0.6552 Remote Similarity NPC201939
0.6538 Remote Similarity NPC470410
0.6538 Remote Similarity NPC470412
0.6512 Remote Similarity NPC317203
0.65 Remote Similarity NPC326651
0.65 Remote Similarity NPC469926
0.65 Remote Similarity NPC322319
0.65 Remote Similarity NPC325117
0.6491 Remote Similarity NPC469924
0.6491 Remote Similarity NPC17935
0.6481 Remote Similarity NPC87564
0.6481 Remote Similarity NPC281972
0.6481 Remote Similarity NPC85813
0.6481 Remote Similarity NPC261831
0.6481 Remote Similarity NPC424
0.6481 Remote Similarity NPC154245
0.6481 Remote Similarity NPC290563
0.6481 Remote Similarity NPC25417
0.6481 Remote Similarity NPC88966
0.6481 Remote Similarity NPC6095
0.6481 Remote Similarity NPC87394
0.6481 Remote Similarity NPC319589
0.6481 Remote Similarity NPC32467
0.6471 Remote Similarity NPC207815
0.6471 Remote Similarity NPC163345
0.6444 Remote Similarity NPC197039
0.6444 Remote Similarity NPC73245
0.6429 Remote Similarity NPC175342
0.6429 Remote Similarity NPC168714
0.6429 Remote Similarity NPC178643
0.6429 Remote Similarity NPC35371
0.6429 Remote Similarity NPC41007
0.6429 Remote Similarity NPC99700
0.641 Remote Similarity NPC248233
0.641 Remote Similarity NPC143211
0.6393 Remote Similarity NPC315525
0.6393 Remote Similarity NPC135043
0.6383 Remote Similarity NPC248763
0.6383 Remote Similarity NPC325452
0.6379 Remote Similarity NPC243532
0.6364 Remote Similarity NPC321699
0.6364 Remote Similarity NPC301919
0.6341 Remote Similarity NPC168982
0.6296 Remote Similarity NPC321062
0.6296 Remote Similarity NPC36061

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC236579 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
0.9512 High Similarity NPD2699 Approved
0.8974 High Similarity NPD3206 Approved
0.8444 Intermediate Similarity NPD6125 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD2270 Approved
0.7857 Intermediate Similarity NPD633 Phase 3
0.7857 Intermediate Similarity NPD9448 Phase 2
0.78 Intermediate Similarity NPD3728 Approved
0.78 Intermediate Similarity NPD3730 Approved
0.7778 Intermediate Similarity NPD3199 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD9655 Approved
0.7333 Intermediate Similarity NPD387 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD3729 Clinical (unspecified phase)
0.6939 Remote Similarity NPD2266 Phase 2
0.6875 Remote Similarity NPD634 Phase 3
0.6863 Remote Similarity NPD29 Approved
0.6863 Remote Similarity NPD28 Approved
0.6731 Remote Similarity NPD3186 Phase 1
0.6591 Remote Similarity NPD9449 Clinical (unspecified phase)
0.6491 Remote Similarity NPD3198 Approved
0.6481 Remote Similarity NPD4266 Approved
0.6481 Remote Similarity NPD3195 Phase 2
0.6481 Remote Similarity NPD3196 Approved
0.6481 Remote Similarity NPD3194 Approved
0.6296 Remote Similarity NPD3172 Approved
0.6279 Remote Similarity NPD900 Approved
0.6275 Remote Similarity NPD622 Approved
0.6275 Remote Similarity NPD5343 Approved
0.62 Remote Similarity NPD9431 Approved
0.62 Remote Similarity NPD9430 Approved
0.619 Remote Similarity NPD8278 Approved
0.617 Remote Similarity NPD7536 Approved
0.6136 Remote Similarity NPD9447 Approved
0.6094 Remote Similarity NPD3725 Approved
0.6094 Remote Similarity NPD3726 Approved
0.6094 Remote Similarity NPD8277 Approved
0.6066 Remote Similarity NPD7909 Approved
0.6066 Remote Similarity NPD3197 Phase 1
0.6047 Remote Similarity NPD2272 Approved
0.6047 Remote Similarity NPD5383 Approved
0.5957 Remote Similarity NPD9450 Approved
0.5957 Remote Similarity NPD77 Approved
0.5909 Remote Similarity NPD5777 Approved
0.5893 Remote Similarity NPD615 Clinical (unspecified phase)
0.5882 Remote Similarity NPD3174 Discontinued
0.5862 Remote Similarity NPD4279 Approved
0.5814 Remote Similarity NPD1461 Approved
0.5814 Remote Similarity NPD908 Approved
0.5814 Remote Similarity NPD907 Approved
0.5745 Remote Similarity NPD9513 Phase 1
0.5738 Remote Similarity NPD3205 Discontinued
0.5714 Remote Similarity NPD631 Approved
0.5714 Remote Similarity NPD630 Approved
0.5686 Remote Similarity NPD6096 Approved
0.5686 Remote Similarity NPD6097 Approved
0.5672 Remote Similarity NPD2256 Clinical (unspecified phase)
0.5667 Remote Similarity NPD4280 Approved
0.5652 Remote Similarity NPD8039 Approved
0.5652 Remote Similarity NPD370 Phase 3
0.5636 Remote Similarity NPD9638 Phase 2
0.5625 Remote Similarity NPD5799 Discontinued

Structure

External Identifiers

PubChem CID   12366
ChEMBL   CHEMBL3561042
ZINC  

Physicochemical Properties

Molecular Weight:  284.27
ALogP:  -3.3963
MLogP:  3.22
XLogP:  8.314
# Rotatable Bonds:  18
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  20

Download Data

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