Natural Product: NPC60288

Natural Product ID:  NPC60288
Common Name:   (3E,6E)-3,7,11-Trimethyldodeca-1,3,6,10-Tetraene
IUPAC Name:   (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
Synonyms:  
Molecular Formula:   C15H24
Standard InCHIKey:  CXENHBSYCFFKJS-VDQVFBMKSA-N
Standard InCHI:  InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+
Canonical SMILES:  C=C/C(=C/C/C=C(/CCC=C(C)C)C)/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
NPO11169 Piper cubeba Species Piperaceae Eukaryota TM-MC*
NPO11820 Amomum villosum Species Zingiberaceae Eukaryota TCMID*
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO5946 Caryophylliflos NA NA NA TCMSP*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCMSP*
NPO28928 Piper nigrum Species Piperaceae Eukaryota TM-MC*
NPO28256 Platycladus orientalis Species Cupressaceae Eukaryota TCMID*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO5800 Radix salviae Species Lymnaeidae Eukaryota TCMSP*
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota TM-MC*
NPO10579 Teucrium bidentatum Species Lamiaceae Eukaryota TCMID*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO10766 Alpiniae officinarum rhizome NA NA NA TCMSP*
NPO12935 Thymus quinquecostatus Species Lamiaceae Eukaryota TM-MC*
NPO28276 Artemisia argyi Species Asteraceae Eukaryota TM-MC*
NPO29702 Zingiberis rhizoma NA NA NA TCMSP*
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota TM-MC*
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota TM-MC*
NPO9462 Ligustici rhizoma et radix NA NA NA TCMSP*
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota TM-MC*
NPO10492 Artemisia montana Species Asteraceae Eukaryota TM-MC*
NPO29723 Solidaginis herba NA NA NA TCMSP*
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota TM-MC*
NPO25094 Artemisia princeps Species Asteraceae Eukaryota TM-MC*
NPO29657 Zanthoxyli pericarpium NA NA NA TCMSP*
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota TM-MC*
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota TM-MC*
NPO8255 Cinnamomum aromaticum Species Lauraceae Eukaryota TM-MC*
NPO9454 Piperis fructus NA NA NA TCMSP*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TM-MC*
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota TM-MC*
NPO27288 Citrus maxima Species Rutaceae Eukaryota TM-MC*
NPO29650 Lysimachiae herba NA NA NA TCMSP*
NPO9247.1 Bupleurum smithii var. parvifolium Varieties Apiaceae Eukaryota TCMID*
NPO9546 Cinamomum cassia NA NA NA TM-MC*
NPO25443 Citrus reticulata Species Rutaceae Eukaryota TM-MC*
NPO25951 Chuanxiong rhizoma NA NA NA TCMSP*
NPO2715.1 Murraya paniculata var. exotica Varieties Rutaceae Eukaryota TCMID*
NPO10082 Citrus unshiu Species Rutaceae Eukaryota TM-MC*
NPO29651 Sennae folium NA NA NA TCMSP*
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota TCMID*
NPO22741 Curcuma kwangsiensis Species Zingiberaceae Eukaryota TM-MC*
NPO29555 Evodiae fructus NA NA NA TCMSP*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TCMID*
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota TM-MC*
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota TCMSP*
NPO10494 Alpinia katsumadai Species Staphylinidae Eukaryota TCMID*
NPO18068 Curcuma phaeocaulis Species Zingiberaceae Eukaryota TM-MC*
NPO29597 Perillae fructus NA NA NA TCMSP*
NPO319 Citrus limon Species Rutaceae Eukaryota TCMID*
NPO2618 Curcuma wenyujin Species Zingiberaceae Eukaryota TM-MC*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TCMSP*
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota TCMID*
NPO21355 Elsholtzia ciliata Species Lamiaceae Eukaryota TM-MC*
NPO13736 Cnidii fructus NA NA NA TCMSP*
NPO8367 Fructus schiandrae NA NA NA TCMID*
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota TM-MC*
NPO17399 Kadsurae coccineae radix et caulis NA NA NA TCMSP*
NPO7255 Pterocarpus indicus Species Fabaceae Eukaryota TCMID*
NPO16845 Euodia bodinieri Species Rutaceae Eukaryota TM-MC*
NPO28184 Folium nelumbinis NA NA NA TCMSP*
NPO2048 Rhizoma curcumae NA NA NA TCMID*
NPO4877 Euodia officinalis Species Rutaceae Eukaryota TM-MC*
NPO17237 Ephedra herba Species Ephedraceae Eukaryota TCMSP*
NPO16019.1 Isodon japonica var. glaucocalyx Varieties Lamiaceae Eukaryota TCMID*
NPO8314 Euodia ruticarpa Species Rutaceae Eukaryota TM-MC*
NPO28985 Radix bupleuri Species Lymnaeidae Eukaryota TCMSP*
NPO18811 Magnolia biondii Species Magnoliaceae Eukaryota TCMID*
NPO19935 Tetradium ruticarpum Species Rutaceae Eukaryota TM-MC*
NPO29671 Curcumae rhizoma NA NA NA TCMSP*
NPO10150 Anemone raddeana Species Ranunculaceae Eukaryota TCMID*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TM-MC*
NPO4750 Meliae azedarach fructus NA NA NA TCMSP*
NPO8650.1 Perilla frutescens var. arguta Varieties Lamiaceae Eukaryota TCMID*
NPO13879 Humulus lupulus Species Cannabaceae Eukaryota TM-MC*
NPO7763 Citri reticulatae folium NA NA NA TCMSP*
NPO14992 Prunus persica Species Rosaceae Eukaryota TCMID*
NPO3676 Fusarium sambucinum Species Nectriaceae Eukaryota UNPD*
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota TM-MC*
NPO17960 Citri fructus retinervus NA NA NA TCMSP*
NPO11411 Gossypium herbaceum Species Malvaceae Eukaryota TCMID*
NPO4578 Cystoseira fimbriata Species Sargassaceae Eukaryota UNPD*
NPO13274 Illicium verum Species Schisandraceae Eukaryota TM-MC*
NPO29556 Piperis longi fructus NA NA NA TCMSP*
NPO23234 Ageratum conyzoides Species Asteraceae Eukaryota TCMID*
NPO8 Buphthalmum salicifolium Species Asteraceae Eukaryota UNPD*
NPO29110 Litsea cubeba Species Lauraceae Eukaryota TM-MC*
NPO13847 Streptomyces avermitilis Species Streptomycetaceae Bacteria StreptomeDB*
NPO10330.7 Streptomyces coelicolor a3(2) Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TCM_Taiwan*
NPO23256 Mentha arvensis Species Lamiaceae Eukaryota TM-MC*
NPO26351 Agastache rugosa Species Lamiaceae Eukaryota TM-MC*
NPO11638 Cinnanmomi cortex NA NA NA TCMSP*
NPO13857 Mentha canadensis Species Lamiaceae Eukaryota TM-MC*
NPO1479 Amomum longiligulare Species Zingiberaceae Eukaryota TM-MC*
NPO18697 Et radix patriniae rhizoma NA NA NA TCMSP*
NPO18046 Mosla chinensis Species Lamiaceae Eukaryota TM-MC*
NPO11820 Amomum villosum Species Zingiberaceae Eukaryota TM-MC*
NPO29581 Dalbergiae odoriferae lignum NA NA NA TCMSP*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TM-MC*
NPO1631 Amomum xanthioides Species Zingiberaceae Eukaryota TM-MC*
NPO6212 Myrrha Species Coccinellidae Eukaryota TCMSP*
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 43646.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13802.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 76958.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24336.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61652.4 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 54482.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61130.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4364.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54947.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48557.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68589.6 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 48972.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 38900 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21875.1 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 NPC60288 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
0.9643 High Similarity NPC138113
0.9286 High Similarity NPC288991
0.9286 High Similarity NPC262789
0.9286 High Similarity NPC64176
0.9032 High Similarity NPC99088
0.9032 High Similarity NPC305759
0.9032 High Similarity NPC173592
0.8485 Intermediate Similarity NPC282119
0.8387 Intermediate Similarity NPC66577
0.8387 Intermediate Similarity NPC206088
0.8333 Intermediate Similarity NPC115959
0.8333 Intermediate Similarity NPC123965
0.8 Intermediate Similarity NPC138325
0.8 Intermediate Similarity NPC48638
0.8 Intermediate Similarity NPC45727
0.7812 Intermediate Similarity NPC3649
0.7812 Intermediate Similarity NPC100879
0.7812 Intermediate Similarity NPC471327
0.7742 Intermediate Similarity NPC34671
0.7576 Intermediate Similarity NPC213749
0.7568 Intermediate Similarity NPC183670
0.75 Intermediate Similarity NPC239039
0.75 Intermediate Similarity NPC266298
0.7368 Intermediate Similarity NPC218918
0.7368 Intermediate Similarity NPC120926
0.7368 Intermediate Similarity NPC144023
0.7273 Intermediate Similarity NPC151719
0.7179 Intermediate Similarity NPC177470
0.7143 Intermediate Similarity NPC96619
0.7059 Intermediate Similarity NPC13217
0.7 Intermediate Similarity NPC88325
0.6944 Remote Similarity NPC92224
0.6829 Remote Similarity NPC138935
0.6786 Remote Similarity NPC178306
0.6774 Remote Similarity NPC31891
0.6774 Remote Similarity NPC266539
0.6774 Remote Similarity NPC287191
0.6774 Remote Similarity NPC266144
0.6765 Remote Similarity NPC196831
0.6757 Remote Similarity NPC201753
0.6757 Remote Similarity NPC34764
0.6757 Remote Similarity NPC76145
0.6757 Remote Similarity NPC185839
0.6757 Remote Similarity NPC190810
0.6667 Remote Similarity NPC182392
0.6579 Remote Similarity NPC180840
0.6579 Remote Similarity NPC139717
0.6579 Remote Similarity NPC297643
0.6579 Remote Similarity NPC229262
0.6562 Remote Similarity NPC10183
0.65 Remote Similarity NPC469969
0.6486 Remote Similarity NPC38497
0.6452 Remote Similarity NPC38513
0.6429 Remote Similarity NPC225855
0.641 Remote Similarity NPC29091
0.641 Remote Similarity NPC182840
0.641 Remote Similarity NPC255042
0.641 Remote Similarity NPC103213
0.6389 Remote Similarity NPC62779
0.6364 Remote Similarity NPC179103
0.6364 Remote Similarity NPC76765
0.6341 Remote Similarity NPC209279
0.6341 Remote Similarity NPC68889
0.6341 Remote Similarity NPC206906
0.6341 Remote Similarity NPC108494
0.6341 Remote Similarity NPC180871
0.6341 Remote Similarity NPC51758
0.6341 Remote Similarity NPC208936
0.6341 Remote Similarity NPC88079
0.6341 Remote Similarity NPC194586
0.6341 Remote Similarity NPC67761
0.625 Remote Similarity NPC323278
0.625 Remote Similarity NPC18205
0.625 Remote Similarity NPC56917
0.625 Remote Similarity NPC12319
0.6222 Remote Similarity NPC17810
0.619 Remote Similarity NPC216921
0.6154 Remote Similarity NPC34873
0.6154 Remote Similarity NPC40434
0.6154 Remote Similarity NPC155880
0.6154 Remote Similarity NPC92863
0.6136 Remote Similarity NPC159420
0.6098 Remote Similarity NPC188596
0.6098 Remote Similarity NPC269823
0.6071 Remote Similarity NPC33192
0.6047 Remote Similarity NPC473533
0.6 Remote Similarity NPC217923
0.6 Remote Similarity NPC101811
0.6 Remote Similarity NPC15934
0.5952 Remote Similarity NPC256766
0.5952 Remote Similarity NPC213538
0.5952 Remote Similarity NPC473912
0.5946 Remote Similarity NPC12889
0.5909 Remote Similarity NPC276825
0.5833 Remote Similarity NPC208638
0.5814 Remote Similarity NPC86538
0.5814 Remote Similarity NPC109813
0.5814 Remote Similarity NPC116934
0.5814 Remote Similarity NPC106819
0.5814 Remote Similarity NPC301972
0.5814 Remote Similarity NPC60556
0.5778 Remote Similarity NPC100380
0.5778 Remote Similarity NPC180575
0.5778 Remote Similarity NPC323445
0.5714 Remote Similarity NPC469713
0.5714 Remote Similarity NPC33489
0.5714 Remote Similarity NPC476679
0.5714 Remote Similarity NPC259702
0.5714 Remote Similarity NPC37644
0.5682 Remote Similarity NPC12907
0.5682 Remote Similarity NPC6963
0.5682 Remote Similarity NPC202189
0.5682 Remote Similarity NPC477686
0.5682 Remote Similarity NPC304079
0.5682 Remote Similarity NPC248411
0.5676 Remote Similarity NPC266979
0.5652 Remote Similarity NPC124851
0.5625 Remote Similarity NPC30433
0.561 Remote Similarity NPC171978
0.561 Remote Similarity NPC33761
0.561 Remote Similarity NPC277382
0.56 Remote Similarity NPC478120

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC60288 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
0.6757 Remote Similarity NPD319 Phase 1
0.6667 Remote Similarity NPD8834 Discontinued
0.641 Remote Similarity NPD5783 Phase 3
0.625 Remote Similarity NPD1153 Clinical (unspecified phase)
0.6222 Remote Similarity NPD8262 Approved
0.6222 Remote Similarity NPD4220 Pre-registration
0.5682 Remote Similarity NPD9675 Approved
0.5682 Remote Similarity NPD9674 Approved

Structure

External Identifiers

PubChem CID   5281516
ChEMBL   CHEMBL3182226
ZINC  

Physicochemical Properties

Molecular Weight:  204.19
ALogP:  4.4725
MLogP:  3.11
XLogP:  6.136
# Rotatable Bonds:  10
Polar Surface Area:  0
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  15

Download Data

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