Natural Product: NPC287191

Natural Product ID:  NPC287191
Common Name:   Tridec-1-Ene
IUPAC Name:   tridec-1-ene
Synonyms:  
Molecular Formula:   C13H26
Standard InCHIKey:  VQOXUMQBYILCKR-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3
Canonical SMILES:  CCCCCCCCCCCC=C
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
NPO3196 Physochlainae radix NA NA NA TCMSP*
NPO29556 Piperis longi fructus NA NA NA TCMSP*
NPO12468 Asarum heterotropoides Species Aristolochiaceae Eukaryota TM-MC*
NPO6336 Asarum sieboldii Species Aristolochiaceae Eukaryota TM-MC*
NPO4659 Asiasarum heterotropoides NA NA NA TM-MC*
NPO29078 Asiasarum sieboldii NA NA NA TM-MC*
NPO17755 Inula helenium Species Asteraceae Eukaryota TM-MC*
NPO23768 Camellia saluenensis Species Theaceae Eukaryota TCMID*
NPO6947 Astilbe chinensis Species Saxifragaceae Eukaryota TCMID*
NPO28696 Rhaponticum uniflorum Species Asteraceae Eukaryota TCMID*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TCMID*
NPO420 Eucheuma muricatum Species Solieriaceae Eukaryota TCMID*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota HerDing*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[21970810]
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TCM_Taiwan*
NPO28696 Rhaponticum uniflorum Species Asteraceae Eukaryota HerDing*
NPO10639 Olibanun NA NA NA TCMSP*
NPO10515 Angelicae sinensis radix NA NA NA TCMSP*
NPO29564 Farfarae flos NA NA NA TCMSP*
NPO29545 Capsici fructus NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 946.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 18.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 37.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 470.2 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 NPC287191 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 NPC31891
1.0 High Similarity NPC266144
1.0 High Similarity NPC266539
0.9583 High Similarity NPC88325
0.9583 High Similarity NPC38513
0.9231 High Similarity NPC76765
0.9231 High Similarity NPC179103
0.8276 Intermediate Similarity NPC151719
0.7931 Intermediate Similarity NPC16561
0.7917 Intermediate Similarity NPC178306
0.7586 Intermediate Similarity NPC34671
0.75 Intermediate Similarity NPC182392
0.75 Intermediate Similarity NPC225855
0.7241 Intermediate Similarity NPC138325
0.7188 Intermediate Similarity NPC62779
0.7097 Intermediate Similarity NPC3649
0.7097 Intermediate Similarity NPC471327
0.7097 Intermediate Similarity NPC100879
0.7083 Intermediate Similarity NPC33192
0.7 Intermediate Similarity NPC138113
0.6774 Remote Similarity NPC60288
0.6571 Remote Similarity NPC216416
0.6562 Remote Similarity NPC196831
0.6562 Remote Similarity NPC66577
0.6562 Remote Similarity NPC206088
0.6452 Remote Similarity NPC115959
0.6452 Remote Similarity NPC123965
0.6389 Remote Similarity NPC297643
0.6389 Remote Similarity NPC229262
0.6389 Remote Similarity NPC139717
0.6333 Remote Similarity NPC10183
0.6296 Remote Similarity NPC96619
0.6286 Remote Similarity NPC213767
0.6286 Remote Similarity NPC282119
0.6286 Remote Similarity NPC92224
0.625 Remote Similarity NPC136996
0.625 Remote Similarity NPC302327
0.625 Remote Similarity NPC278711
0.625 Remote Similarity NPC273385
0.625 Remote Similarity NPC82648
0.625 Remote Similarity NPC64370
0.625 Remote Similarity NPC227986
0.6216 Remote Similarity NPC217923
0.6176 Remote Similarity NPC305759
0.6176 Remote Similarity NPC173592
0.6176 Remote Similarity NPC99088
0.6154 Remote Similarity NPC287397
0.6154 Remote Similarity NPC177470
0.6154 Remote Similarity NPC190232
0.6154 Remote Similarity NPC67920
0.6154 Remote Similarity NPC298710
0.6154 Remote Similarity NPC105246
0.6129 Remote Similarity NPC288991
0.6129 Remote Similarity NPC262789
0.6129 Remote Similarity NPC64176
0.6111 Remote Similarity NPC34764
0.6111 Remote Similarity NPC76145
0.6111 Remote Similarity NPC190810
0.6053 Remote Similarity NPC48930
0.6053 Remote Similarity NPC183670
0.6 Remote Similarity NPC89422
0.6 Remote Similarity NPC252978
0.5946 Remote Similarity NPC92863
0.5946 Remote Similarity NPC155880
0.5946 Remote Similarity NPC266298
0.5946 Remote Similarity NPC239039
0.5897 Remote Similarity NPC144023
0.5897 Remote Similarity NPC33489
0.5897 Remote Similarity NPC120926
0.5897 Remote Similarity NPC218918
0.5882 Remote Similarity NPC213749
0.5854 Remote Similarity NPC145755
0.5854 Remote Similarity NPC108195
0.5854 Remote Similarity NPC267514
0.5833 Remote Similarity NPC224874
0.5789 Remote Similarity NPC15934
0.5769 Remote Similarity NPC77249
0.5769 Remote Similarity NPC26974
0.5769 Remote Similarity NPC26229
0.5769 Remote Similarity NPC154477
0.5769 Remote Similarity NPC239406
0.575 Remote Similarity NPC473912
0.575 Remote Similarity NPC249801
0.575 Remote Similarity NPC46248
0.575 Remote Similarity NPC149668
0.5714 Remote Similarity NPC269074
0.5714 Remote Similarity NPC239754
0.5714 Remote Similarity NPC76976
0.5676 Remote Similarity NPC220061
0.5641 Remote Similarity NPC227632
0.5641 Remote Similarity NPC246165
0.5641 Remote Similarity NPC62086
0.5641 Remote Similarity NPC78551
0.561 Remote Similarity NPC60556
0.561 Remote Similarity NPC15162
0.561 Remote Similarity NPC86538
0.561 Remote Similarity NPC109813

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC287191 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
0.6154 Remote Similarity NPD1799 Clinical (unspecified phase)
0.6111 Remote Similarity NPD319 Phase 1

Structure

External Identifiers

PubChem CID   17095
ChEMBL   CHEMBL3186542
ZINC  

Physicochemical Properties

Molecular Weight:  182.20
ALogP:  -1.5776
MLogP:  2.89
XLogP:  7.371
# Rotatable Bonds:  11
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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Biological Activities  
Similar NPs/Drugs