Natural Product: NPC273385

Natural Product ID:  NPC273385
Common Name:   Tridecane
IUPAC Name:   tridecane
Synonyms:   Tridecane
Molecular Formula:   C13H28
Standard InCHIKey:  IIYFAKIEWZDVMP-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3
Canonical SMILES:  CCCCCCCCCCCCC
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
NPO11247 Fructus hippophae NA NA NA HerDing*
NPO29579 Arisaematis rhizoma NA NA NA TCMSP*
NPO10366 Vincetoxicum stauntonii Species Apocynaceae Eukaryota TM-MC*
NPO163 Daucus carota Species Apiaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[17314143]
NPO5446 Campsis flos Species Bignoniaceae Eukaryota TCMSP*
NPO4440 Typhonii rhizoma NA NA NA TCMSP*
NPO21355 Elsholtzia ciliata Species Lamiaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[24421258]
NPO25133 Cynanchistauntonii rhizoma et radix NA NA NA TCMSP*
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota TM-MC*
NPO1802 Abelmoschus esculentus Species Malvaceae Eukaryota PMID[23768323]
NPO17506 Semen pharbitidis NA NA NA TCMSP*
NPO23548 Leonurus japonicus Species Lamiaceae Eukaryota TM-MC*
NPO28696 Rhaponticum uniflorum Species Asteraceae Eukaryota HerDing*
NPO29597 Perillae fructus NA NA NA TCMSP*
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota TM-MC*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCM_Taiwan*
NPO23429 Lycium barbarum Species Solanaceae Eukaryota TM-MC*
NPO29141 Panax ginseng Species Araliaceae Eukaryota HerDing*
NPO17823 Lycium chinense Species Solanaceae Eukaryota TM-MC*
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota HerDing*
NPO29859 Cynanchum stauntonii Species Apocynaceae Eukaryota TCM_Taiwan*
NPO18932 Melia azedarach Species Meliaceae Eukaryota TM-MC*
NPO31073 Ligusticum chuanxiong Species Apiaceae Eukaryota TCM_Taiwan*
NPO18932.1 Melia azedarach var. toosendan Varieties Meliaceae Eukaryota TM-MC*
NPO31073 Ligusticum chuanxiong Species Apiaceae Eukaryota HerDing*
NPO18046 Mosla chinensis Species Lamiaceae Eukaryota TM-MC*
NPO7067 Stellera chamaejasme Species Thymelaeaceae Eukaryota TCM_Taiwan*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TM-MC*
NPO7067 Stellera chamaejasme Species Thymelaeaceae Eukaryota HerDing*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCMSP*
NPO29438 Radix chuanxiong Species Lymnaeidae Eukaryota TCMID*
NPO18805 Tripolium pannonicum Species Asteraceae Eukaryota UNPD*
NPO4054 Lysimachiae foenigraeci herba NA NA NA TCMSP*
NPO22834 Rhizoma chuanxiong NA NA NA TCMID*
NPO14354 Artemisia cina Species Asteraceae Eukaryota UNPD*
NPO24731 Sesami nigrum semen NA NA NA TCMSP*
NPO28696 Rhaponticum uniflorum Species Asteraceae Eukaryota TCMID*
NPO12001 Saccharomyces pastori Species Saccharomycetaceae Eukaryota UNPD*
NPO29653 Hippophae fructus Species Elaeagnaceae Eukaryota TCMSP*
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota TCMID*
NPO14255 Streptomyces flocculus Species Streptomycetaceae Bacteria UNPD*
NPO28985 Radix bupleuri Species Lymnaeidae Eukaryota TCMSP*
NPO10449 Arctium lappa Species Asteraceae Eukaryota TCMID*
NPO11248 Tachigalia paniculata NA NA NA UNPD*
NPO13103 Radix angelicae biseratae Species Lymnaeidae Eukaryota TCMSP*
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota TCMID*
NPO22666 Haematococcus lacustris Species Haematococcaceae Eukaryota UNPD*
NPO5603 Eupatorium fortunei turcz Species Asteraceae Eukaryota TCMSP*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCMID*
NPO13645 Armoracia rusticana Species Brassicaceae Eukaryota UNPD*
NPO29699 Meliae cortex NA NA NA TCMSP*
NPO8108.1 Citrullus lanatus subsp. vulgaris Subspecies Cucurbitaceae Eukaryota TCMID*
NPO210 Uvaria calamistrata Species Annonaceae Eukaryota UNPD*
NPO5263 Albatrellus cristatus Species Albatrellaceae Eukaryota UNPD*
NPO29556 Piperis longi fructus NA NA NA TCMSP*
NPO7067 Stellera chamaejasme Species Thymelaeaceae Eukaryota TCMID*
NPO11642 Dacrydium cupressinum Species Podocarpaceae Eukaryota UNPD*
NPO9536 Adrisa magna Species Cydnidae Eukaryota UNPD*
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO11247 Fructus hippophae NA NA NA TCMID*
NPO7998 Senecio paludaffinis Species Asteraceae Eukaryota UNPD*
NPO10540 Passiflora incarnata Species Passifloraceae Eukaryota UNPD*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO12684 Trigonella grandiflora Species Fabaceae Eukaryota UNPD*
NPO2411 Meliosma simplicifolia Species Sabiaceae Eukaryota UNPD*
NPO13166 Nicotiana undulata Species Solanaceae Eukaryota UNPD*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO1694 Rhizoprionodon acutus Species Carcharhinidae Eukaryota UNPD*
NPO19635 Coreopsis nodosa Species Asteraceae Eukaryota UNPD*
NPO21854 Pterocladiella tenuis Species Gelidiaceae Eukaryota UNPD*
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota TM-MC*
NPO11488 Alstonia muelleriana Species Apocynaceae Eukaryota UNPD*
NPO1771 Rose rugosae flos NA NA NA TCMSP*
NPO20902 Atractylodes macrocephala Species Asteraceae Eukaryota TM-MC*
NPO27513 Quercus myrsinifolia Species Fagaceae Eukaryota UNPD*
NPO5946 Caryophylliflos NA NA NA TCMSP*
NPO28260 Senna alexandrina Species Fabaceae Eukaryota TM-MC*
NPO731 Panax schinseng Species Araliaceae Eukaryota UNPD*
NPO13077 Amygdalus communis vas NA NA NA TCMSP*
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota TM-MC*
NPO5189 Glycine tomentella Species Fabaceae Eukaryota UNPD*
NPO29545 Capsici fructus NA NA NA TCMSP*
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota TM-MC*
NPO13568 Hypoxylon rubiginosum Species Xylariaceae Eukaryota UNPD*
NPO29598 Mahoniae caulis NA NA NA TCMSP*
NPO22033 Cnidium officinale Species Apiaceae Eukaryota TM-MC*
NPO2109 Persicaria amphibia Species Polygonaceae Eukaryota UNPD*
NPO29628 Rubi fructus NA NA NA TCMSP*
NPO4460 Vincetoxicum glaucescens Species Apocynaceae Eukaryota TM-MC*
NPO10449 Arctium lappa Species Asteraceae Eukaryota HerDing*
NPO2179 Paeoniae radix alba NA NA NA TCMSP*
NPO2761 Cynanchum stauntoni Species Apocynaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 19496.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 489.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30899.4 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 389 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 NPC273385 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 NPC278711
1.0 High Similarity NPC227986
1.0 High Similarity NPC302327
1.0 High Similarity NPC82648
1.0 High Similarity NPC136996
1.0 High Similarity NPC64370
0.9375 High Similarity NPC89422
0.9333 High Similarity NPC224874
0.8824 High Similarity NPC154477
0.8824 High Similarity NPC77249
0.8824 High Similarity NPC239406
0.8824 High Similarity NPC26974
0.8824 High Similarity NPC26229
0.8667 High Similarity NPC98925
0.75 Intermediate Similarity NPC234888
0.75 Intermediate Similarity NPC127355
0.7333 Intermediate Similarity NPC150271
0.7143 Intermediate Similarity NPC47161
0.6818 Remote Similarity NPC14312
0.6818 Remote Similarity NPC27501
0.6667 Remote Similarity NPC187095
0.6522 Remote Similarity NPC172053
0.6522 Remote Similarity NPC287807
0.625 Remote Similarity NPC266539
0.625 Remote Similarity NPC256060
0.625 Remote Similarity NPC29199
0.625 Remote Similarity NPC31891
0.625 Remote Similarity NPC266144
0.625 Remote Similarity NPC287191
0.5882 Remote Similarity NPC236495
0.5833 Remote Similarity NPC38513
0.5833 Remote Similarity NPC88325
0.5769 Remote Similarity NPC313882
0.5769 Remote Similarity NPC295442
0.5769 Remote Similarity NPC223195
0.5769 Remote Similarity NPC76765
0.5769 Remote Similarity NPC179103
0.5714 Remote Similarity NPC252008

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC273385 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
NPD

Structure

External Identifiers

PubChem CID   12388
ChEMBL   CHEMBL135694
ZINC  

Physicochemical Properties

Molecular Weight:  184.22
ALogP:  -3.0654
MLogP:  2.89
XLogP:  7.737
# Rotatable Bonds:  12
Polar Surface Area:  0
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  13

Download Data

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Structure MOL file  
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