Natural Product: NPC239406

Natural Product ID:  NPC239406
Common Name:   Heptadecane
IUPAC Name:   heptadecane
Synonyms:  
Molecular Formula:   C17H36
Standard InCHIKey:  NDJKXXJCMXVBJW-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
Canonical SMILES:  CCCCCCCCCCCCCCCCC
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
NPO11889 Dendrobium chrysanthum Species Orchidaceae Eukaryota TCMID*
NPO11247 Fructus hippophae NA NA NA TCMID*
NPO10680 Cistanche deserticola Species Orobanchaceae Eukaryota HerDing*
NPO731 Panax schinseng Species Araliaceae Eukaryota UNPD*
NPO13077 Amygdalus communis vas NA NA NA TCMSP*
NPO29545 Capsici fructus NA NA NA TCMSP*
NPO11820 Amomum villosum Species Zingiberaceae Eukaryota TCMID*
NPO28256 Platycladus orientalis Species Cupressaceae Eukaryota TCMID*
NPO11247 Fructus hippophae NA NA NA HerDing*
NPO18938 Ladeania juncea Species Fabaceae Eukaryota UNPD*
NPO5189 Glycine tomentella Species Fabaceae Eukaryota UNPD*
NPO29679 Lycii fructus NA NA NA TCMSP*
NPO24916 Aristolochia debilis Species Aristolochiaceae Eukaryota TCMID*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCMID*
NPO11820 Amomum villosum Species Zingiberaceae Eukaryota HerDing*
NPO11248 Tachigalia paniculata NA NA NA UNPD*
NPO29598 Mahoniae caulis NA NA NA TCMSP*
NPO14992 Prunus persica Species Rosaceae Eukaryota TCMID*
NPO420 Eucheuma muricatum Species Solieriaceae Eukaryota TCMID*
NPO12582 Camptotheca acuminata Species Nyssaceae Eukaryota HerDing*
NPO11642 Dacrydium cupressinum Species Podocarpaceae Eukaryota UNPD*
NPO29702 Zingiberis rhizoma NA NA NA TCMSP*
NPO17237 Ephedra herba Species Ephedraceae Eukaryota TCMSP*
NPO6947 Astilbe chinensis Species Saxifragaceae Eukaryota TCMID*
NPO15544 Cnidium monnieri Species Apiaceae Eukaryota TCMID*
NPO14148.1 Panax pseudo - ginseng var. notoginseng Varieties Araliaceae Eukaryota HerDing*
NPO666 Cymbidium aloifolium Species Orchidaceae Eukaryota UNPD*
NPO29714 Puerariae flos NA NA NA TCMSP*
NPO29644 Xanthii fructus NA NA NA TCMSP*
NPO667 Bulbus allii fistulosi NA NA NA TCMID*
NPO29385 Nidus vespae NA NA NA TCMID*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TCM_Taiwan*
NPO2179 Paeoniae radix alba NA NA NA TCMSP*
NPO13103 Radix angelicae biseratae Species Lymnaeidae Eukaryota TCMSP*
NPO16850 Eucommia ulmoides Species Eucommiaceae Eukaryota TCMID*
NPO16755 Saposhnikovia divaricata Species Apiaceae Eukaryota TCMID*
NPO16741 Codonopsis pilosula Species Campanulaceae Eukaryota HerDing*
NPO12562 Gnaphalii affinis herba NA NA NA TCMSP*
NPO29580 Tamaricis cacumen NA NA NA TCMSP*
NPO8108.1 Citrullus lanatus subsp. vulgaris Subspecies Cucurbitaceae Eukaryota TCMID*
NPO11045 Paederia scandens Species Rubiaceae Eukaryota TCMID*
NPO16755 Saposhnikovia divaricata Species Apiaceae Eukaryota HerDing*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[20809147]
NPO29603 Saussureae involucratae herba NA NA NA TCMSP*
NPO25292 Achyranthis bidentatae radix NA NA NA TCMSP*
NPO1493 Hericium erinaceus Species Hericiaceae Eukaryota TCMID*
NPO23332.1 Dendrobium fimbriatum var. oculatum Varieties Orchidaceae Eukaryota TCMID*
NPO18176 Ephedra sinica Species Ephedraceae Eukaryota HerDing*
NPO19689 Radix cirsii japonici Species Lymnaeidae Eukaryota TCMSP*
NPO29556 Piperis longi fructus NA NA NA TCMSP*
NPO6583 Clematis chinensis Species Ranunculaceae Eukaryota TCMID*
NPO10680 Cistanche deserticola Species Orobanchaceae Eukaryota TCMID*
NPO19231 Sophora flavescens Species Fabaceae Eukaryota HerDing*
NPO19092 Morindae officinalis radix NA NA NA TCMSP*
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota TM-MC*
NPO19231 Sophora flavescens Species Fabaceae Eukaryota TCMID*
NPO21137 Combretum indicum Species Combretaceae Eukaryota TCMID*
NPO21707 Trichosanthes kirilowii Species Cucurbitaceae Eukaryota HerDing*
NPO5446 Campsis flos Species Bignoniaceae Eukaryota TCMSP*
NPO20902 Atractylodes macrocephala Species Asteraceae Eukaryota TM-MC*
NPO28696 Rhaponticum uniflorum Species Asteraceae Eukaryota TCMID*
NPO15546 Herba ecliptae prostratae NA NA NA TCMID*
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TCM_Taiwan*
NPO5527 Ligularia atroviolacea Species Asteraceae Eukaryota UNPD*
NPO9454 Piperis fructus NA NA NA TCMSP*
NPO26378 Bistorta manshuriensis Species Polygonaceae Eukaryota TM-MC*
NPO24356 Fructus xanthii sibirici NA NA NA TCMID*
NPO24159 Fructus amomi NA NA NA TCMID*
NPO24159 Fructus amomi NA NA NA HerDing*
NPO27513 Quercus myrsinifolia Species Fagaceae Eukaryota UNPD*
NPO8455 Magnolia officinalis rehd et wils Species Magnoliaceae Eukaryota TCMSP*
NPO28260 Senna alexandrina Species Fabaceae Eukaryota TM-MC*
NPO16741 Codonopsis pilosula Species Campanulaceae Eukaryota TCMID*
NPO19592 Michelia alba Species Magnoliaceae Eukaryota TCMID*
NPO24916 Aristolochia debilis Species Aristolochiaceae Eukaryota HerDing*
NPO1054 Peucedanum graveolens Species Apiaceae Eukaryota UNPD*
NPO4440 Typhonii rhizoma NA NA NA TCMSP*
NPO4460 Vincetoxicum glaucescens Species Apocynaceae Eukaryota TM-MC*
NPO27645 Fructus galangae NA NA NA TCMID*
NPO10540 Passiflora incarnata Species Passifloraceae Eukaryota UNPD*
NPO26650 Terminalia chebula Species Combretaceae Eukaryota HerDing*
NPO2329 Scutellaria glabra Species Lamiaceae Eukaryota UNPD*
NPO25133 Cynanchistauntonii rhizoma et radix NA NA NA TCMSP*
NPO2761 Cynanchum stauntoni Species Apocynaceae Eukaryota TM-MC*
NPO12582 Camptotheca acuminata Species Nyssaceae Eukaryota TCMID*
NPO22666 Haematococcus lacustris Species Haematococcaceae Eukaryota UNPD*
NPO28696 Rhaponticum uniflorum Species Asteraceae Eukaryota HerDing*
NPO2491 Laurencia obtusa Species Rhodomelaceae Eukaryota UNPD*
NPO17506 Semen pharbitidis NA NA NA TCMSP*
NPO10366 Vincetoxicum stauntonii Species Apocynaceae Eukaryota TM-MC*
NPO4617 Tanacetum cinerariifolium Species Asteraceae Eukaryota TCMID*
NPO2884 Annona squamosa Species Annonaceae Eukaryota PMID[19296389]
NPO2411 Meliosma simplicifolia Species Sabiaceae Eukaryota UNPD*
NPO29546 Eriobotryae folium NA NA NA TCMSP*
NPO27018 Cynomorium songaricum Species Cynomoriaceae Eukaryota TM-MC*
NPO27661 Radix codonopsis pilosulae Species Lymnaeidae Eukaryota TCMID*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCM_Taiwan*
NPO1694 Rhizoprionodon acutus Species Carcharhinidae Eukaryota UNPD*
NPO25673 Semen euphorbiae NA NA NA TCMSP*
NPO20295 Eclipta prostrata Species Asteraceae Eukaryota TM-MC*
NPO13989 Uncaria macrophylla Species Rubiaceae Eukaryota TCMID*
NPO18176 Ephedra sinica Species Ephedraceae Eukaryota TCMID*
NPO29141 Panax ginseng Species Araliaceae Eukaryota HerDing*
NPO11488 Alstonia muelleriana Species Apocynaceae Eukaryota UNPD*
NPO3041 Rhizome of whiteback greenbrier NA NA NA TCMSP*
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota TM-MC*
NPO9293 Fructus terminaliae preparata NA NA NA TCMID*
NPO12001 Saccharomyces pastori Species Saccharomycetaceae Eukaryota UNPD*
NPO29859 Cynanchum stauntonii Species Apocynaceae Eukaryota TCM_Taiwan*
NPO13493 Mauremys reevesii Species Geoemydidae Eukaryota UNPD*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCMSP*
NPO23548 Leonurus japonicus Species Lamiaceae Eukaryota TM-MC*
NPO14105.2 Panax pseudo-ginseng var. notoginseng Varieties Araliaceae Eukaryota TCMID*
NPO7998 Senecio paludaffinis Species Asteraceae Eukaryota UNPD*
NPO30709 Fructus terminaliae NA NA NA HerDing*
NPO21854 Pterocladiella tenuis Species Gelidiaceae Eukaryota UNPD*
NPO23877 Leonuri fructus NA NA NA TCMSP*
NPO11791 Magnolia obovata Species Magnoliaceae Eukaryota TM-MC*
NPO13568 Hypoxylon rubiginosum Species Xylariaceae Eukaryota UNPD*
NPO31522 Fructus xanthii NA NA NA HerDing*
NPO10341 Pseudogymnoascus pannorum Species Pseudeurotiaceae Eukaryota UNPD*
NPO4054 Lysimachiae foenigraeci herba NA NA NA TCMSP*
NPO4368 Magnolia officinalis Species Magnoliaceae Eukaryota TM-MC*
NPO14354 Artemisia cina Species Asteraceae Eukaryota UNPD*
NPO31580 Opuntia littoralis Species Cactaceae Eukaryota PMID[24354326]
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TCMSP*
NPO18195 Maydis seigma NA NA NA TCMSP*
NPO3478 Nelumbo nucifera Species Nelumbonaceae Eukaryota TM-MC*
NPO12684 Trigonella grandiflora Species Fabaceae Eukaryota UNPD*
NPO6583 Clematis chinensis Species Ranunculaceae Eukaryota HerDing*
NPO26257 Celastri orbiculati fructus NA NA NA TCMSP*
NPO29719 Ginkgo biloba Species Ginkgoaceae Eukaryota TCMSP*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TM-MC*
NPO13166 Nicotiana undulata Species Solanaceae Eukaryota UNPD*
NPO1221 Juniperus serawschanica Species Cupressaceae Eukaryota UNPD*
NPO26003 Adenophprae ae radix NA NA NA TCMSP*
NPO29653 Hippophae fructus Species Elaeagnaceae Eukaryota TCMSP*
NPO28928 Piper nigrum Species Piperaceae Eukaryota TM-MC*
NPO29551 Mori fructus NA NA NA TCMSP*
NPO23213 Bistorta officinalis Species Polygonaceae Eukaryota TM-MC*
NPO18761 Plocamium cruciferum Species Plocamiaceae Eukaryota UNPD*
NPO13645 Armoracia rusticana Species Brassicaceae Eukaryota UNPD*
NPO20949 Paederiae scandentis herba NA NA NA TCMSP*
NPO29728 Kaempferiae rhizoma NA NA NA TCMSP*
NPO9602 Rosa multiflora Species Rosaceae Eukaryota TM-MC*
NPO5263 Albatrellus cristatus Species Albatrellaceae Eukaryota UNPD*
NPO15600 Trifolium pannonicum Species Fabaceae Eukaryota UNPD*
NPO24198 Radix cynanchi paniculati Species Lymnaeidae Eukaryota TCMSP*
NPO2811 Calyx seu fructus physalis Species Phloeodictyidae Eukaryota TCMSP*
NPO21707 Trichosanthes kirilowii Species Cucurbitaceae Eukaryota TCMID*
NPO3608 Eleutherococcus giraldii Species Araliaceae Eukaryota TCMID*
NPO19829 Croton draco Species Euphorbiaceae Eukaryota UNPD*
NPO19635 Coreopsis nodosa Species Asteraceae Eukaryota UNPD*
NPO5946 Caryophylliflos NA NA NA TCMSP*
NPO6444 Humulus scandens Species Cannabaceae Eukaryota TCMSP*
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota TCMID*
NPO11411 Gossypium herbaceum Species Malvaceae Eukaryota TCMID*
NPO7738 Dendrobium hildebrandii Species Orchidaceae Eukaryota UNPD*
NPO210 Uvaria calamistrata Species Annonaceae Eukaryota UNPD*
NPO29677 Scutellariae barbatae herba NA NA NA TCMSP*
NPO15151 Syringa vulgaris Species Oleaceae Eukaryota TCMID*
NPO26650 Terminalia chebula Species Combretaceae Eukaryota TCMID*
NPO18805 Tripolium pannonicum Species Asteraceae Eukaryota UNPD*
NPO8821 Delphinium dictyocarpum Species Ranunculaceae Eukaryota UNPD*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCMSP*
NPO26967 Phallus impudicus Species Phallaceae Eukaryota TCMID*
NPO15634 Radix smilacis Species Lymnaeidae Eukaryota TCMID*
NPO11173 Tripetalum cymosum Species Clusiaceae Eukaryota UNPD*
NPO14255 Streptomyces flocculus Species Streptomycetaceae Bacteria UNPD*
NPO489 Codonopsis radix Species Campanulaceae Eukaryota TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 61130.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24336.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 76958.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21872.4 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 NPC239406 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 NPC154477
1.0 High Similarity NPC26974
1.0 High Similarity NPC26229
1.0 High Similarity NPC77249
0.9412 High Similarity NPC89422
0.8824 High Similarity NPC278711
0.8824 High Similarity NPC302327
0.8824 High Similarity NPC82648
0.8824 High Similarity NPC64370
0.8824 High Similarity NPC136996
0.8824 High Similarity NPC227986
0.8824 High Similarity NPC273385
0.85 High Similarity NPC234888
0.8235 Intermediate Similarity NPC224874
0.8095 Intermediate Similarity NPC47161
0.7647 Intermediate Similarity NPC98925
0.7391 Intermediate Similarity NPC172053
0.7083 Intermediate Similarity NPC29199
0.7083 Intermediate Similarity NPC256060
0.6818 Remote Similarity NPC127355
0.6667 Remote Similarity NPC287807
0.6538 Remote Similarity NPC76765
0.6538 Remote Similarity NPC179103
0.6471 Remote Similarity NPC150271
0.625 Remote Similarity NPC27501
0.625 Remote Similarity NPC14312
0.5882 Remote Similarity NPC187095
0.5862 Remote Similarity NPC151719
0.5862 Remote Similarity NPC16578
0.5862 Remote Similarity NPC76608
0.5862 Remote Similarity NPC225318
0.5862 Remote Similarity NPC149101
0.5769 Remote Similarity NPC266539
0.5769 Remote Similarity NPC266144
0.5769 Remote Similarity NPC31891
0.5769 Remote Similarity NPC287191
0.5667 Remote Similarity NPC139131
0.5667 Remote Similarity NPC272998
0.5667 Remote Similarity NPC181516
0.5667 Remote Similarity NPC291158
0.5667 Remote Similarity NPC205141
0.5667 Remote Similarity NPC185538

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC239406 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
0.6071 Remote Similarity NPD2705 Approved
0.6071 Remote Similarity NPD2706 Approved
0.6071 Remote Similarity NPD3734 Approved
0.5862 Remote Similarity NPD5385 Approved
0.5862 Remote Similarity NPD2274 Approved
0.5862 Remote Similarity NPD2275 Approved
0.5862 Remote Similarity NPD5384 Approved
0.5667 Remote Similarity NPD2272 Approved
0.5667 Remote Similarity NPD5383 Approved

Structure

External Identifiers

PubChem CID   12398
ChEMBL   CHEMBL3185332
ZINC  

Physicochemical Properties

Molecular Weight:  240.28
ALogP:  -4.2174
MLogP:  3.33
XLogP:  10.013
# Rotatable Bonds:  16
Polar Surface Area:  0
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  17

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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