Natural Product: NPC154477

Natural Product ID:  NPC154477
Common Name:   Hexadecane
IUPAC Name:   hexadecane
Synonyms:   Hexadecane
Molecular Formula:   C16H34
Standard InCHIKey:  DCAYPVUWAIABOU-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
Canonical SMILES:  CCCCCCCCCCCCCCCC
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
NPO29726 Impatientis semen NA NA NA TCMSP*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO27364 Gallus gallus Species Phasianidae Eukaryota PMID[27439360]
NPO29608 Ranunculi ternati radix NA NA NA TCMSP*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCM_Taiwan*
NPO5800 Radix salviae Species Lymnaeidae Eukaryota TCMSP*
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota TM-MC*
NPO29812 Panax quinquefolium Species Araliaceae Eukaryota TCM_Taiwan*
NPO13077 Amygdalus communis vas NA NA NA TCMSP*
NPO20902 Atractylodes macrocephala Species Asteraceae Eukaryota TM-MC*
NPO29859 Cynanchum stauntonii Species Apocynaceae Eukaryota TCM_Taiwan*
NPO29564 Farfarae flos NA NA NA TCMSP*
NPO4460 Vincetoxicum glaucescens Species Apocynaceae Eukaryota TM-MC*
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota TCM_Taiwan*
NPO29545 Capsici fructus NA NA NA TCMSP*
NPO2761 Cynanchum stauntoni Species Apocynaceae Eukaryota TM-MC*
NPO5189 Glycine tomentella Species Fabaceae Eukaryota UNPD*
NPO29679 Lycii fructus NA NA NA TCMSP*
NPO10366 Vincetoxicum stauntonii Species Apocynaceae Eukaryota TM-MC*
NPO29598 Mahoniae caulis NA NA NA TCMSP*
NPO23548 Leonurus japonicus Species Lamiaceae Eukaryota TM-MC*
NPO19635 Coreopsis nodosa Species Asteraceae Eukaryota UNPD*
NPO914 Smilacis glabrae rhixoma NA NA NA TCMSP*
NPO18932 Melia azedarach Species Meliaceae Eukaryota TM-MC*
NPO18805 Tripolium pannonicum Species Asteraceae Eukaryota UNPD*
NPO29603 Saussureae involucratae herba NA NA NA TCMSP*
NPO18932.1 Melia azedarach var. toosendan Varieties Meliaceae Eukaryota TM-MC*
NPO731 Panax schinseng Species Araliaceae Eukaryota UNPD*
NPO5446 Campsis flos Species Bignoniaceae Eukaryota TCMSP*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TM-MC*
NPO10540 Passiflora incarnata Species Passifloraceae Eukaryota UNPD*
NPO25133 Cynanchistauntonii rhizoma et radix NA NA NA TCMSP*
NPO28928 Piper nigrum Species Piperaceae Eukaryota TM-MC*
NPO2411 Meliosma simplicifolia Species Sabiaceae Eukaryota UNPD*
NPO17331 Radix clematidis Species Lymnaeidae Eukaryota TCMSP*
NPO21072 Rhododendron dauricum Species Ericaceae Eukaryota TM-MC*
NPO9602 Rosa multiflora Species Rosaceae Eukaryota TM-MC*
NPO14354 Artemisia cina Species Asteraceae Eukaryota UNPD*
NPO3041 Rhizome of whiteback greenbrier NA NA NA TCMSP*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCMSP*
NPO26650 Terminalia chebula Species Combretaceae Eukaryota TM-MC*
NPO11488 Alstonia muelleriana Species Apocynaceae Eukaryota UNPD*
NPO23877 Leonuri fructus NA NA NA TCMSP*
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota TM-MC*
NPO21854 Pterocladiella tenuis Species Gelidiaceae Eukaryota UNPD*
NPO29719 Ginkgo biloba Species Ginkgoaceae Eukaryota TCMSP*
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota TM-MC*
NPO11248 Tachigalia paniculata NA NA NA UNPD*
NPO29653 Hippophae fructus Species Elaeagnaceae Eukaryota TCMSP*
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota TM-MC*
NPO22666 Haematococcus lacustris Species Haematococcaceae Eukaryota UNPD*
NPO29541 Allii tuberosi semen NA NA NA TCMSP*
NPO11247 Fructus hippophae NA NA NA TCMID*
NPO210 Uvaria calamistrata Species Annonaceae Eukaryota UNPD*
NPO29668 Oroxyli semen NA NA NA TCMSP*
NPO13080 Gomphrena globosa Species Amaranthaceae Eukaryota TCMID*
NPO7998 Senecio paludaffinis Species Asteraceae Eukaryota UNPD*
NPO12001 Saccharomyces pastori Species Saccharomycetaceae Eukaryota UNPD*
NPO29644 Xanthii fructus NA NA NA TCMSP*
NPO22230 Rhodiola crenulata Species Crassulaceae Eukaryota TCMID*
NPO13166 Nicotiana undulata Species Solanaceae Eukaryota UNPD*
NPO29580 Tamaricis cacumen NA NA NA TCMSP*
NPO16850 Eucommia ulmoides Species Eucommiaceae Eukaryota TCMID*
NPO27513 Quercus myrsinifolia Species Fagaceae Eukaryota UNPD*
NPO29630 Panacis quinquefolii radix NA NA NA TCMSP*
NPO8108.1 Citrullus lanatus subsp. vulgaris Subspecies Cucurbitaceae Eukaryota TCMID*
NPO13568 Hypoxylon rubiginosum Species Xylariaceae Eukaryota UNPD*
NPO25292 Achyranthis bidentatae radix NA NA NA TCMSP*
NPO12582 Camptotheca acuminata Species Nyssaceae Eukaryota TCMID*
NPO1694 Rhizoprionodon acutus Species Carcharhinidae Eukaryota UNPD*
NPO1334 Senegalia catechu Species Fabaceae Eukaryota TM-MC*
NPO5263 Albatrellus cristatus Species Albatrellaceae Eukaryota UNPD*
NPO14255 Streptomyces flocculus Species Streptomycetaceae Bacteria UNPD*
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO11247 Fructus hippophae NA NA NA HerDing*
NPO12684 Trigonella grandiflora Species Fabaceae Eukaryota UNPD*
NPO12582 Camptotheca acuminata Species Nyssaceae Eukaryota HerDing*
NPO11642 Dacrydium cupressinum Species Podocarpaceae Eukaryota UNPD*
NPO1524 Rosa rugosa Species Rosaceae Eukaryota TCM_Taiwan*
NPO13645 Armoracia rusticana Species Brassicaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[24657864]
NPO10639 Olibanun NA NA NA TCMSP*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[17314143]
NPO18697 Et radix patriniae rhizoma NA NA NA TCMSP*
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TCM_Taiwan*
NPO22397 Equiseti hiemalis herba NA NA NA TCMSP*
NPO26237 Piper longum Species Piperaceae Eukaryota TCM_Taiwan*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT249 Individual Protein Glucocorticoid receptor Homo sapiens Potency 89.1 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 76958.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54482.7 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 34376.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61644.8 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 61644.8 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 NPC154477 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 NPC239406
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 NPC154477 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   11006
ChEMBL   CHEMBL134994
ZINC  

Physicochemical Properties

Molecular Weight:  226.27
ALogP:  -3.9294
MLogP:  3.22
XLogP:  9.444
# Rotatable Bonds:  15
Polar Surface Area:  0
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  16

Download Data

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Structure MOL file  
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Similar NPs/Drugs