Natural Product: NPC82648

Natural Product ID:  NPC82648
Common Name:   Undecane
IUPAC Name:   undecane
Synonyms:   N-Undecane; Undecane
Molecular Formula:   C11H24
Standard InCHIKey:  RSJKGSCJYJTIGS-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3
Canonical SMILES:  CCCCCCCCCCC
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
NPO28688 Aster tataricus Species Asteraceae Eukaryota UNPD*
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota TM-MC*
NPO28196 Brachylaena perrieri Species Asteraceae Eukaryota UNPD*
NPO28414 Medicosma fareana Species Rutaceae Eukaryota UNPD*
NPO5174 Helenium mexicanum Species Asteraceae Eukaryota UNPD*
NPO20902 Atractylodes macrocephala Species Asteraceae Eukaryota TM-MC*
NPO7698 Elettaria cardamomum Species Zingiberaceae Eukaryota UNPD*
NPO14674 Vallesia glabra Species Apocynaceae Eukaryota UNPD*
NPO28337 Pimpinella peregrina Species Apiaceae Eukaryota UNPD*
NPO28260 Senna alexandrina Species Fabaceae Eukaryota TM-MC*
NPO28932 Myrrhis odorata Species Apiaceae Eukaryota UNPD*
NPO27927 Alligator sinensis Species Alligatoridae Eukaryota UNPD*
NPO15446 Quercus coccifera Species Fagaceae Eukaryota UNPD*
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota TM-MC*
NPO28112 Amauris niavius Species Nymphalidae Eukaryota UNPD*
NPO28701 Salvia lanigera Species Lamiaceae Eukaryota UNPD*
NPO24144 Ophiomastix mixta Species Ophiocomidae Eukaryota UNPD*
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota TM-MC*
NPO28669 Cuscuta australis Species Convolvulaceae Eukaryota UNPD*
NPO14130 Phagnalon rupestre Species Asteraceae Eukaryota UNPD*
NPO13468.1 Cryptomeria japonica var. sinensis Varieties Cupressaceae Eukaryota UNPD*
NPO21355 Elsholtzia ciliata Species Lamiaceae Eukaryota TM-MC*
NPO28641 Tubocapsicum anomalum Species Solanaceae Eukaryota UNPD*
NPO11495 Pellia epiphylla Species Pelliaceae Eukaryota UNPD*
NPO28326 Uncaria longiflora Species Rubiaceae Eukaryota UNPD*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TM-MC*
NPO28266 Phlomis ostrowskiana Species Lamiaceae Eukaryota UNPD*
NPO11328 Juniperus chinensis Species Cupressaceae Eukaryota UNPD*
NPO28435 Solanum crinitum Species Solanaceae Eukaryota UNPD*
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota TM-MC*
NPO14835 Lepraria chlorina Species Stereocaulaceae Eukaryota UNPD*
NPO28489 Euphrasia regelii Species Orobanchaceae Eukaryota UNPD*
NPO7840 Herbahypericiperforati NA NA NA TCMSP*
NPO23092 Ammodendron karelinii Species Fabaceae Eukaryota UNPD*
NPO23429 Lycium barbarum Species Solanaceae Eukaryota TM-MC*
NPO28830 Acronychia haplophylla Species Rutaceae Eukaryota UNPD*
NPO32 Peucedanidecursivi radix NA NA NA TCMSP*
NPO28807 Laggera pterodonta Species Asteraceae Eukaryota UNPD*
NPO17823 Lycium chinense Species Solanaceae Eukaryota TM-MC*
NPO28559 Julbernardia globifera Species Fabaceae Eukaryota UNPD*
NPO11172 Lepidii semen descurainiae semen NA NA NA TCMSP*
NPO17288 Piliostigma thonningii Species Fabaceae Eukaryota UNPD*
NPO18046 Mosla chinensis Species Lamiaceae Eukaryota TM-MC*
NPO28842 Oscillatoria raoi Species Oscillatoriaceae Bacteria UNPD*
NPO11871 Illicium difengpi Species Schisandraceae Eukaryota HerDing*
NPO12500 Inga umbellifera Species Fabaceae Eukaryota UNPD*
NPO28213 Humicola grisea Species Chaetomiaceae Eukaryota UNPD*
NPO28578 Uperoleia inundata Species Myobatrachidae Eukaryota UNPD*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TCM_Taiwan*
NPO28464 Mentha sylvestris Species Lamiaceae Eukaryota UNPD*
NPO28450 Phyllanthus emblica Species Phyllanthaceae Eukaryota TM-MC*
NPO24010 Buglossoides arvensis Species Boraginaceae Eukaryota UNPD*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota HerDing*
NPO28765 Miliusa balansae Species Annonaceae Eukaryota UNPD*
NPO9602 Rosa multiflora Species Rosaceae Eukaryota TM-MC*
NPO28855 Salix petiolaris Species Salicaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[17314143]
NPO21547 Crinum giganteum Species Amaryllidaceae Eukaryota UNPD*
NPO27645 Fructus galangae NA NA NA TCMID*
NPO28127 Ursinia speciosa Species Asteraceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[24023812]
NPO28233 Diplotropis ferruginea Species Fabaceae Eukaryota UNPD*
NPO1493 Hericium erinaceus Species Hericiaceae Eukaryota TCMID*
NPO1771 Rose rugosae flos NA NA NA TCMSP*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[24421258]
NPO28739 Othonna macrophylla Species Asteraceae Eukaryota UNPD*
NPO6947 Astilbe chinensis Species Saxifragaceae Eukaryota TCMID*
NPO20568 Hyperici japonici herber NA NA NA TCMSP*
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota HerDing*
NPO28065 Pentachondra pumila Species Ericaceae Eukaryota UNPD*
NPO19592 Michelia alba Species Magnoliaceae Eukaryota TCMID*
NPO29564 Farfarae flos NA NA NA TCMSP*
NPO29579 Arisaematis rhizoma NA NA NA TCMSP*
NPO28623 Phlox decussata Species Polemoniaceae Eukaryota UNPD*
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota TCMID*
NPO29651 Sennae folium NA NA NA TCMSP*
NPO28384 Ascotricha chartarum Species Xylariaceae Eukaryota UNPD*
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota TCMID*
NPO21137 Combretum indicum Species Combretaceae Eukaryota TCMID*
NPO29700 Peucedani radix NA NA NA TCMSP*
NPO28171 Anacyclus pyrethrum Species Asteraceae Eukaryota UNPD*
NPO16309 Semen astragali complanati NA NA NA TCMID*
NPO29597 Perillae fructus NA NA NA TCMSP*
NPO27880 Mimusops laurifolia Species Sapotaceae Eukaryota UNPD*
NPO11889 Dendrobium chrysanthum Species Orchidaceae Eukaryota TCMID*
NPO13736 Cnidii fructus NA NA NA TCMSP*
NPO28778 Eucalyptus viminalis Species Myrtaceae Eukaryota UNPD*
NPO11871 Illicium difengpi Species Schisandraceae Eukaryota TCMID*
NPO29547 Broussonetiae fructus NA NA NA TCMSP*
NPO28280 Cetraria komarovii Species Parmeliaceae Eukaryota UNPD*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TCMID*
NPO236 Sojae semen nigrum NA NA NA TCMSP*
NPO27988 Salvia pisidica Species Lamiaceae Eukaryota UNPD*
NPO27968 Phoma linga Species Didymellaceae Eukaryota UNPD*
NPO28501 Hortonia angustifolia Species Monimiaceae Eukaryota UNPD*
NPO7443 Platycodon grandiforus Species Campanulaceae Eukaryota TCMSP*
NPO8387 Lactarius flavidulus Species Lactariidae Eukaryota UNPD*
NPO28985 Radix bupleuri Species Lymnaeidae Eukaryota TCMSP*
NPO13103 Radix angelicae biseratae Species Lymnaeidae Eukaryota TCMSP*
NPO13599 Dryopteris abbreviata Species Dryopteridaceae Eukaryota UNPD*
NPO29630 Panacis quinquefolii radix NA NA NA TCMSP*
NPO28895 Pinus monticola Species Pinaceae Eukaryota UNPD*
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO28545 Scymnorhinus lichia NA NA NA UNPD*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO28145 Dendrodoris limbata Species Dendrodorididae Eukaryota UNPD*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO28877 Scutellaria baicalensis Species Lamiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 30637.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54482.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12299.8 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 NPC82648 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 NPC136996
1.0 High Similarity NPC273385
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 NPC82648 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   14257
ChEMBL   CHEMBL132474
ZINC  

Physicochemical Properties

Molecular Weight:  156.19
ALogP:  -2.4894
MLogP:  2.67
XLogP:  6.599
# Rotatable Bonds:  10
Polar Surface Area:  0
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  11

Download Data

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