Natural Product: NPC108494

Natural Product ID:  NPC108494
Common Name:   (6Z)-3,7,11-Trimethyldodeca-1,6,10-Trien-3-Ol
IUPAC Name:   (6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
Synonyms:  
Molecular Formula:   C15H26O
Standard InCHIKey:  FQTLCLSUCSAZDY-KAMYIIQDSA-N
Standard InCHI:  InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11-
Canonical SMILES:  C=CC(CC/C=C(CCC=C(C)C)/C)(O)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
NPO389 Actaea heracleifolia Species Ranunculaceae Eukaryota TM-MC*
NPO2727 Actaea simplex Species Ranunculaceae Eukaryota TM-MC*
NPO9546 Cinamomum cassia NA NA NA TM-MC*
NPO8255 Cinnamomum aromaticum Species Lauraceae Eukaryota TM-MC*
NPO7317 Citrus aurantium Species Rutaceae Eukaryota TM-MC*
NPO27288 Citrus maxima Species Rutaceae Eukaryota TM-MC*
NPO22741 Curcuma kwangsiensis Species Zingiberaceae Eukaryota TM-MC*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota TM-MC*
NPO19787 Citrus sinensis Species Rutaceae Eukaryota TCM_Taiwan*
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota TM-MC*
NPO23256 Mentha arvensis Species Lamiaceae Eukaryota TM-MC*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TCM_Taiwan*
NPO18068 Curcuma phaeocaulis Species Zingiberaceae Eukaryota TM-MC*
NPO13857 Mentha canadensis Species Lamiaceae Eukaryota TM-MC*
NPO21807 Lindera umbellata Species Lauraceae Eukaryota TCM_Taiwan*
NPO22273 Angelica pubescens Species Apiaceae Eukaryota TCM_Taiwan*
NPO2618 Curcuma wenyujin Species Zingiberaceae Eukaryota TM-MC*
NPO18046 Mosla chinensis Species Lamiaceae Eukaryota TM-MC*
NPO25618 Eriobotrya japonica Species Rosaceae Eukaryota TCM_Taiwan*
NPO18117 Dalbergia odorifera Species Fabaceae Eukaryota TM-MC*
NPO12182 Murraya exotica Species Rutaceae Eukaryota TM-MC*
NPO28211 Valeriana jatamansii Species Caprifoliaceae Eukaryota TCM_Taiwan*
NPO7698 Elettaria cardamomum Species Zingiberaceae Eukaryota TM-MC*
NPO2715 Murraya paniculata Species Rutaceae Eukaryota TM-MC*
NPO6528 Myroxylon pereirae Species Fabaceae Eukaryota TCM_Taiwan*
NPO21355 Elsholtzia ciliata Species Lamiaceae Eukaryota TM-MC*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TM-MC*
NPO6701 Cinnamomum camphora Species Lauraceae Eukaryota TCM_Taiwan*
NPO3083 Ferula assafoetida Species Apiaceae Eukaryota TM-MC*
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TM-MC*
NPO7317.2 Citrus aurantium var. amara engl. Varieties Rutaceae Eukaryota TCM_Taiwan*
NPO3780 Ferula fukanensis Species Apiaceae Eukaryota TM-MC*
NPO20712 Panax quinquefolius Species Araliaceae Eukaryota TM-MC*
NPO25682 Acorus calamus Species Acoraceae Eukaryota TM-MC*
NPO3412 Ferula sinkiangensis Species Apiaceae Eukaryota TM-MC*
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota TM-MC*
NPO1479 Amomum longiligulare Species Zingiberaceae Eukaryota TM-MC*
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota TM-MC*
NPO28928 Piper nigrum Species Piperaceae Eukaryota TM-MC*
NPO11820 Amomum villosum Species Zingiberaceae Eukaryota TM-MC*
NPO26293 Ginkgo biloba Species Ginkgoaceae Eukaryota TM-MC*
NPO17494 Prunella vulgaris Species Lamiaceae Eukaryota TM-MC*
NPO1631 Amomum xanthioides Species Zingiberaceae Eukaryota TM-MC*
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota TM-MC*
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota TM-MC*
NPO28276 Artemisia argyi Species Asteraceae Eukaryota TM-MC*
NPO13274 Illicium verum Species Schisandraceae Eukaryota TM-MC*
NPO14602 Vitex negundo Species Lamiaceae Eukaryota TM-MC*
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota TM-MC*
NPO28807 Laggera pterodonta Species Asteraceae Eukaryota TM-MC*
NPO10391 Dolomiaea souliei Species Asteraceae Eukaryota TM-MC*
NPO10492 Artemisia montana Species Asteraceae Eukaryota TM-MC*
NPO4682 Lindera aggregata Species Lauraceae Eukaryota TM-MC*
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota TM-MC*
NPO25094 Artemisia princeps Species Asteraceae Eukaryota TM-MC*
NPO13346 Lindera strichnifolia Species Tineidae Eukaryota TM-MC*
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota TM-MC*
NPO25825 Saussurea costus Species Asteraceae Eukaryota TM-MC*
NPO14650 Lobelia chinensis Species Campanulaceae Eukaryota TM-MC*
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota TM-MC*
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota TM-MC*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TM-MC*
NPO3107 Bupleurum falcatum Species Apiaceae Eukaryota TM-MC*
NPO16841 Elsholtzia bodinieri Species Lamiaceae Eukaryota TCMID*
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota TM-MC*
NPO16501 Capsicum annuum Species Solanaceae Eukaryota TM-MC*
NPO28260 Senna alexandrina Species Fabaceae Eukaryota TM-MC*
NPO17295 Chrysanthemum zawadskii Species Asteraceae Eukaryota TM-MC*
NPO15373 Actaea dahurica Species Ranunculaceae Eukaryota TM-MC*
NPO15890 Actaea cimicifuga Species Ranunculaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 54482.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54482.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21872.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68589.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61130.6 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 NPC108494 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 NPC67761
1.0 High Similarity NPC209279
1.0 High Similarity NPC88079
1.0 High Similarity NPC194586
1.0 High Similarity NPC68889
1.0 High Similarity NPC51758
1.0 High Similarity NPC180871
0.9 High Similarity NPC56917
0.878 High Similarity NPC188596
0.8478 Intermediate Similarity NPC474460
0.8125 Intermediate Similarity NPC68014
0.78 Intermediate Similarity NPC474127
0.7755 Intermediate Similarity NPC35756
0.7647 Intermediate Similarity NPC227135
0.7442 Intermediate Similarity NPC182840
0.7442 Intermediate Similarity NPC103213
0.7442 Intermediate Similarity NPC29091
0.7442 Intermediate Similarity NPC255042
0.74 Intermediate Similarity NPC208638
0.7347 Intermediate Similarity NPC329773
0.7234 Intermediate Similarity NPC140501
0.7234 Intermediate Similarity NPC24824
0.7234 Intermediate Similarity NPC165651
0.7234 Intermediate Similarity NPC210560
0.7222 Intermediate Similarity NPC181872
0.7209 Intermediate Similarity NPC34873
0.7209 Intermediate Similarity NPC40434
0.72 Intermediate Similarity NPC26906
0.72 Intermediate Similarity NPC214584
0.7174 Intermediate Similarity NPC15162
0.7174 Intermediate Similarity NPC116934
0.7143 Intermediate Similarity NPC15912
0.7143 Intermediate Similarity NPC91765
0.7111 Intermediate Similarity NPC269823
0.7059 Intermediate Similarity NPC294358
0.7059 Intermediate Similarity NPC35519
0.7059 Intermediate Similarity NPC181255
0.7059 Intermediate Similarity NPC40417
0.7059 Intermediate Similarity NPC306195
0.7059 Intermediate Similarity NPC71506
0.7059 Intermediate Similarity NPC179169
0.7059 Intermediate Similarity NPC177112
0.7059 Intermediate Similarity NPC157781
0.7045 Intermediate Similarity NPC15934
0.7021 Intermediate Similarity NPC138935
0.7 Intermediate Similarity NPC206088
0.7 Intermediate Similarity NPC27264
0.6981 Remote Similarity NPC251666
0.6981 Remote Similarity NPC329686
0.6981 Remote Similarity NPC232247
0.6957 Remote Similarity NPC213538
0.6957 Remote Similarity NPC256766
0.6875 Remote Similarity NPC160628
0.6863 Remote Similarity NPC474495
0.6863 Remote Similarity NPC148056
0.6863 Remote Similarity NPC473672
0.6863 Remote Similarity NPC244038
0.6852 Remote Similarity NPC48891
0.6842 Remote Similarity NPC55376
0.68 Remote Similarity NPC62755
0.68 Remote Similarity NPC267110
0.6786 Remote Similarity NPC475931
0.6744 Remote Similarity NPC79544
0.6731 Remote Similarity NPC151919
0.6727 Remote Similarity NPC71755
0.6724 Remote Similarity NPC174956
0.6667 Remote Similarity NPC304079
0.6667 Remote Similarity NPC298299
0.6667 Remote Similarity NPC328784
0.6667 Remote Similarity NPC148163
0.6667 Remote Similarity NPC131623
0.6667 Remote Similarity NPC182102
0.6667 Remote Similarity NPC281590
0.6667 Remote Similarity NPC240506
0.6667 Remote Similarity NPC469694
0.6667 Remote Similarity NPC66020
0.6667 Remote Similarity NPC6963
0.6667 Remote Similarity NPC148216
0.6667 Remote Similarity NPC130209
0.6667 Remote Similarity NPC258788
0.6667 Remote Similarity NPC291437
0.6667 Remote Similarity NPC26960
0.661 Remote Similarity NPC300593
0.6607 Remote Similarity NPC155025
0.6607 Remote Similarity NPC226848
0.6604 Remote Similarity NPC474496
0.6604 Remote Similarity NPC217188
0.6596 Remote Similarity NPC249801
0.6596 Remote Similarity NPC304151
0.6596 Remote Similarity NPC206906
0.6596 Remote Similarity NPC46248
0.6591 Remote Similarity NPC185839
0.6585 Remote Similarity NPC66577
0.6552 Remote Similarity NPC225342
0.6552 Remote Similarity NPC64985
0.6552 Remote Similarity NPC321867
0.6552 Remote Similarity NPC210346
0.6552 Remote Similarity NPC207007
0.6552 Remote Similarity NPC68679
0.6545 Remote Similarity NPC274396
0.6538 Remote Similarity NPC71053
0.6538 Remote Similarity NPC59408
0.6538 Remote Similarity NPC151782
0.6538 Remote Similarity NPC48162
0.6512 Remote Similarity NPC58957
0.65 Remote Similarity NPC138113
0.65 Remote Similarity NPC308844
0.6491 Remote Similarity NPC122239
0.6471 Remote Similarity NPC153538
0.6458 Remote Similarity NPC269862
0.6458 Remote Similarity NPC216921
0.6458 Remote Similarity NPC252978
0.6444 Remote Similarity NPC180840
0.6441 Remote Similarity NPC81615
0.6441 Remote Similarity NPC190049
0.6441 Remote Similarity NPC474480
0.6429 Remote Similarity NPC52012
0.6429 Remote Similarity NPC278550
0.6429 Remote Similarity NPC213749
0.64 Remote Similarity NPC19834
0.64 Remote Similarity NPC308331
0.64 Remote Similarity NPC55063
0.6393 Remote Similarity NPC267027
0.6393 Remote Similarity NPC279434
0.6379 Remote Similarity NPC99487
0.6379 Remote Similarity NPC471081
0.6379 Remote Similarity NPC323153
0.6379 Remote Similarity NPC176621
0.6364 Remote Similarity NPC38497
0.6364 Remote Similarity NPC218525
0.6364 Remote Similarity NPC282119
0.6364 Remote Similarity NPC474644
0.6346 Remote Similarity NPC221467
0.6346 Remote Similarity NPC20934
0.6346 Remote Similarity NPC225974
0.6346 Remote Similarity NPC288381
0.6346 Remote Similarity NPC72699
0.6341 Remote Similarity NPC60288
0.6327 Remote Similarity NPC108195
0.6327 Remote Similarity NPC101616
0.6296 Remote Similarity NPC165755
0.629 Remote Similarity NPC73603
0.6279 Remote Similarity NPC250734
0.6279 Remote Similarity NPC81989
0.6275 Remote Similarity NPC100445
0.6271 Remote Similarity NPC469728
0.625 Remote Similarity NPC55412
0.625 Remote Similarity NPC473865
0.625 Remote Similarity NPC474643
0.625 Remote Similarity NPC4881
0.625 Remote Similarity NPC249645
0.6226 Remote Similarity NPC93639
0.6226 Remote Similarity NPC178586
0.6207 Remote Similarity NPC5698
0.6207 Remote Similarity NPC278202
0.6207 Remote Similarity NPC469321
0.62 Remote Similarity NPC117572
0.62 Remote Similarity NPC269074
0.62 Remote Similarity NPC276825
0.62 Remote Similarity NPC76976
0.6182 Remote Similarity NPC189677
0.6182 Remote Similarity NPC256209
0.6182 Remote Similarity NPC49059
0.6182 Remote Similarity NPC110732
0.6167 Remote Similarity NPC473759
0.6167 Remote Similarity NPC473508
0.6167 Remote Similarity NPC474155
0.6154 Remote Similarity NPC85079
0.6154 Remote Similarity NPC248884
0.6154 Remote Similarity NPC31194
0.6154 Remote Similarity NPC302310
0.614 Remote Similarity NPC268185
0.6122 Remote Similarity NPC106819
0.6122 Remote Similarity NPC270796
0.6102 Remote Similarity NPC252809
0.6102 Remote Similarity NPC135648
0.6098 Remote Similarity NPC115959
0.6098 Remote Similarity NPC123965
0.6094 Remote Similarity NPC136473
0.6087 Remote Similarity NPC92863
0.6087 Remote Similarity NPC155880
0.6087 Remote Similarity NPC48638
0.6087 Remote Similarity NPC45727
0.6078 Remote Similarity NPC35141
0.6078 Remote Similarity NPC124183
0.6078 Remote Similarity NPC8610
0.6078 Remote Similarity NPC180575
0.6078 Remote Similarity NPC262558
0.6071 Remote Similarity NPC297280
0.6071 Remote Similarity NPC317899
0.6071 Remote Similarity NPC67367
0.6066 Remote Similarity NPC309300
0.6066 Remote Similarity NPC110241
0.6047 Remote Similarity NPC63121
0.6047 Remote Similarity NPC197356
0.6042 Remote Similarity NPC469713
0.6038 Remote Similarity NPC118788
0.6038 Remote Similarity NPC474642
0.6038 Remote Similarity NPC249670
0.6038 Remote Similarity NPC473913

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC108494 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
0.7234 Intermediate Similarity NPD4265 Approved
0.6667 Remote Similarity NPD342 Phase 1
0.6552 Remote Similarity NPD368 Approved
0.6471 Remote Similarity NPD4220 Pre-registration
0.6304 Remote Similarity NPD5783 Phase 3
0.625 Remote Similarity NPD4219 Approved
0.62 Remote Similarity NPD4222 Approved
0.62 Remote Similarity NPD39 Approved
0.6122 Remote Similarity NPD5326 Phase 3
0.6042 Remote Similarity NPD9301 Approved
0.6042 Remote Similarity NPD9300 Approved
0.5893 Remote Similarity NPD539 Approved
0.587 Remote Similarity NPD319 Phase 1
0.5849 Remote Similarity NPD3173 Approved
0.5821 Remote Similarity NPD4732 Discontinued
0.5763 Remote Similarity NPD585 Clinical (unspecified phase)
0.5738 Remote Similarity NPD4191 Approved
0.5738 Remote Similarity NPD4193 Approved
0.5738 Remote Similarity NPD4194 Approved
0.5738 Remote Similarity NPD4192 Approved
0.5625 Remote Similarity NPD7331 Phase 2

Structure

External Identifiers

PubChem CID   5320128
ChEMBL   CHEMBL3185053
ZINC  

Physicochemical Properties

Molecular Weight:  222.20
ALogP:  3.7014
MLogP:  3
XLogP:  4.29
# Rotatable Bonds:  12
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  16

Download Data

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