Natural Product: NPC275462

Natural Product ID:  NPC275462
Common Name:   1-Hexanol
IUPAC Name:   hexan-1-ol
Synonyms:   Capric alcohol; Caproalcohol; Hexalcohol; Hexyl alcohol; Hydroxyhexane
Molecular Formula:   C6H14O
Standard InCHIKey:  ZSIAUFGUXNUGDI-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
Canonical SMILES:  CCCCCCO
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
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[20055983]
NPO26287 Spodoptera eridania Species Noctuidae Eukaryota UNPD*
NPO11578 Aloe vera Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO22178.1 Centranthus longiflorus ssp. longiflorus Subspecies Caprifoliaceae Eukaryota TCMID*
NPO21707 Trichosanthes kirilowii Species Cucurbitaceae Eukaryota HerDing*
NPO26184 Diphasia angolensis Species Rutaceae Eukaryota UNPD*
NPO14763 Aloe ferox Species Asphodelaceae Eukaryota TM-MC*
NPO25645 Flos lonicerae Species Lycaenidae Eukaryota TCMID*
NPO22311 Evolvulus alsinoides Species Convolvulaceae Eukaryota PMID[24634069]
NPO26134 Epimedium davidii Species Berberidaceae Eukaryota UNPD*
NPO2837 Aloe spicata Species Asphodelaceae Eukaryota TM-MC*
NPO8108.1 Citrullus lanatus subsp. vulgaris Subspecies Cucurbitaceae Eukaryota TCMID*
NPO2345 Coriandrum sativum Species Apiaceae Eukaryota TCM_Taiwan*
NPO1771 Rose rugosae flos NA NA NA TCMSP*
NPO28276 Artemisia argyi Species Asteraceae Eukaryota TM-MC*
NPO26429 Capsella bursa-pastoris Species Brassicaceae Eukaryota TCMID*
NPO25645 Flos lonicerae Species Lycaenidae Eukaryota HerDing*
NPO29562 Mume flos NA NA NA TCMSP*
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota TM-MC*
NPO16755 Saposhnikovia divaricata Species Apiaceae Eukaryota TCMID*
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota TCM_Taiwan*
NPO29622 Siphonostegiae herba NA NA NA TCMSP*
NPO10492 Artemisia montana Species Asteraceae Eukaryota TM-MC*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota TCMID*
NPO25094 Artemisia princeps Species Asteraceae Eukaryota TM-MC*
NPO14992 Prunus persica Species Rosaceae Eukaryota TCMID*
NPO26161 Globba malaccensis Species Zingiberaceae Eukaryota UNPD*
NPO29677 Scutellariae barbatae herba NA NA NA TCMSP*
NPO16501 Capsicum annuum Species Solanaceae Eukaryota TM-MC*
NPO11411 Gossypium herbaceum Species Malvaceae Eukaryota TCMID*
NPO26900 Vallota purpurea NA NA NA UNPD*
NPO29720 Dianthi herba NA NA NA TCMSP*
NPO28260 Senna alexandrina Species Fabaceae Eukaryota TM-MC*
NPO8952 Craibiodendron yunnanese Species Ericaceae Eukaryota TCMID*
NPO12963 Angelica anomala Species Apiaceae Eukaryota UNPD*
NPO5510 Lepidium draba Species Brassicaceae Eukaryota UNPD*
NPO489 Codonopsis radix Species Campanulaceae Eukaryota TCMSP*
NPO12011 Crataegus pinnatifida Species Rosaceae Eukaryota TM-MC*
NPO23332.1 Dendrobium fimbriatum var. oculatum Varieties Orchidaceae Eukaryota TCMID*
NPO25923 Vismia jefensis Species Hypericaceae Eukaryota UNPD*
NPO25995 Laurencia distichophylla Species Rhodomelaceae Eukaryota UNPD*
NPO13077 Amygdalus communis vas NA NA NA TCMSP*
NPO163 Daucus carota Species Apiaceae Eukaryota TM-MC*
NPO11889 Dendrobium chrysanthum Species Orchidaceae Eukaryota TCMID*
NPO26303 Tacca esquirolii Species Taccaceae Eukaryota UNPD*
NPO26735 Stevia amambayensis Species Asteraceae Eukaryota UNPD*
NPO23624 Thalluslaminariae NA NA NA TCMSP*
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota TM-MC*
NPO25777 Acacia longifolia Species Fabaceae Eukaryota UNPD*
NPO26052 Swertia delavayi Species Gentianaceae Eukaryota UNPD*
NPO26561 Micromeria pineolens Species Lamiaceae Eukaryota UNPD*
NPO29545 Capsici fructus NA NA NA TCMSP*
NPO23429 Lycium barbarum Species Solanaceae Eukaryota TM-MC*
NPO26023 Angelica tarokoensis Species Apiaceae Eukaryota UNPD*
NPO26834 Eutypella scoparia Species Diatrypaceae Eukaryota UNPD*
NPO26451 Ophiocoma scolopendrina Species Ophiocomidae Eukaryota UNPD*
NPO19092 Morindae officinalis radix NA NA NA TCMSP*
NPO5446 Campsis flos Species Bignoniaceae Eukaryota TCMSP*
NPO17823 Lycium chinense Species Solanaceae Eukaryota TM-MC*
NPO26806 Nidula candida Species Nidulariaceae Eukaryota UNPD*
NPO22505 Bombax ceiba Species Malvaceae Eukaryota UNPD*
NPO25792 Delphinium andersoni Species Ranunculaceae Eukaryota UNPD*
NPO29723 Solidaginis herba NA NA NA TCMSP*
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota TM-MC*
NPO26266 Isodon japonicus Species Lamiaceae Eukaryota UNPD*
NPO25769 Heterotheca inuloides Species Asteraceae Eukaryota UNPD*
NPO17506 Semen pharbitidis NA NA NA TCMSP*
NPO28450 Phyllanthus emblica Species Phyllanthaceae Eukaryota TM-MC*
NPO26607 Colobocentrotus atratus Species Echinidae Eukaryota UNPD*
NPO25933 Elysia rufescens Species Placobranchidae Eukaryota UNPD*
NPO3330 Capsellae herba NA NA NA TCMSP*
NPO19048 Pinellia ternata Species Araceae Eukaryota TM-MC*
NPO25972 Eupolyphaga sinensis Species Corydiidae Eukaryota UNPD*
NPO25896 Bragantia wallichii NA NA NA UNPD*
NPO29546 Eriobotryae folium NA NA NA TCMSP*
NPO21349 Punica granatum Species Lythraceae Eukaryota TM-MC*
NPO26927 Salacia madagascariensis Species Celastraceae Eukaryota UNPD*
NPO26319 Solanum acaule Species Solanaceae Eukaryota UNPD*
NPO12536 Flemingia prostrata roxb Species Fabaceae Eukaryota TCMSP*
NPO26950 Maba buxifolia Species Ebenaceae Eukaryota UNPD*
NPO26211 Knightia excelsa Species Proteaceae Eukaryota UNPD*
NPO29719 Ginkgo biloba Species Ginkgoaceae Eukaryota TCMSP*
NPO26406 Saussurea carthamoides Species Asteraceae Eukaryota UNPD*
NPO7447 Nemalion vermiculare Species Liagoraceae Eukaryota UNPD*
NPO26349 Frullania tamarisci Species Frullaniaceae Eukaryota UNPD*
NPO9499 Epimrdii herba NA NA NA TCMSP*
NPO26507 Galenia africana Species Aizoaceae Eukaryota UNPD*
NPO26624 Ilex amara Species Aquifoliaceae Eukaryota UNPD*
NPO24731 Sesami nigrum semen NA NA NA TCMSP*
NPO2898 Quercus sessiliflora Species Fagaceae Eukaryota UNPD*
NPO26460 Serratia odorifera Species Yersiniaceae Bacteria UNPD*
NPO28184 Folium nelumbinis NA NA NA TCMSP*
NPO26699 Leonurus glaucescens Species Lamiaceae Eukaryota UNPD*
NPO26584 Gnidia lamprantha Species Thymelaeaceae Eukaryota UNPD*
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota TCMSP*
NPO25870 Vaccinium vitis-idaea Species Ericaceae Eukaryota UNPD*
NPO25739 Erysimum odoratum Species Brassicaceae Eukaryota UNPD*
NPO7727 Momordicae fructus NA NA NA TCMSP*
NPO16039 Scutellaria barbata Species Lamiaceae Eukaryota TM-MC*
NPO26593 Astragalus canadensis Species Fabaceae Eukaryota UNPD*
NPO26374 Alangium premnifolium Species Cornaceae Eukaryota UNPD*
NPO17237 Ephedra herba Species Ephedraceae Eukaryota TCMSP*
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota TM-MC*
NPO26654 Penicillium citreonigrum Species Aspergillaceae Eukaryota UNPD*
NPO28985 Radix bupleuri Species Lymnaeidae Eukaryota TCMSP*
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota TM-MC*
NPO25949 Streptomyces griseovariabilis Species Streptomycetaceae Bacteria UNPD*
NPO25292 Achyranthis bidentatae radix NA NA NA TCMSP*
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota TM-MC*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota HerDing*
NPO4143 Coriandri sativi herba NA NA NA TCMSP*
NPO7255 Pterocarpus indicus Species Fabaceae Eukaryota TCMID*
NPO16755 Saposhnikovia divaricata Species Apiaceae Eukaryota HerDing*
NPO19649 Akebia quinata Species Lardizabalaceae Eukaryota TM-MC*
NPO26967 Phallus impudicus Species Phallaceae Eukaryota TCMID*
NPO17024 Vitis vinifera Species Vitaceae Eukaryota PMID[25518943]
NPO11170 Akebia trifoliata Species Lardizabalaceae Eukaryota TM-MC*
NPO21707 Trichosanthes kirilowii Species Cucurbitaceae Eukaryota TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva DOI[10.1007/s11306-015-0840-5]
NPO2997 Aloe africana Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO1493 Hericium erinaceus Species Hericiaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 800 ug/ml 10.1016/S0960-894X(00)80336-4
NPT167 Organism Propionibacterium acnes Propionibacterium acnes MIC > 800 ug/ml 10.1016/S0960-894X(00)80336-4
NPT2 Others Unspecified EC50 ~ 700000 nM 15943489
NPT167 Organism Propionibacterium acnes Propionibacterium acnes MIC > 800 ug/ml 8158169
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 12.6 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 14715.7 nM PubChem BioAssay data set
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Potency 10000 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 1651.1 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 47307.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 31622.8 nM PubChem BioAssay data set
NPT2241 Organism Glomerella acutata Glomerella acutata ID50 = 151.35 uL/L 17567029
NPT2241 Organism Glomerella acutata Glomerella acutata ID95 = 255.14 uL/L 17567029
NPT561 Organism Tetrahymena pyriformis Tetrahymena pyriformis GI50 = 417926586.7 nM 10.1007/s00044-009-9166-z
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 25 % 11312775
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 5 % 11312775
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 10 % 11312775
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 70 % 11312775
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 75 % 11312775
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 20 % 11312775
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 15 % 11312775
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 0 % 11312775
NPT562 Organism Colletotrichum gloeosporioides Colletotrichum gloeosporioides EC50 = 1271 ug/ml 12926880
NPT562 Organism Colletotrichum gloeosporioides Colletotrichum gloeosporioides EC50 = 12022644.35 nM 12926880
NPT563 Organism Escherichia coli O157:H7 Escherichia coli O157:H7 GI = 16.9 % 14969531
NPT16 Organism Staphylococcus aureus Staphylococcus aureus GI = 6.9 % 14969531
NPT564 Organism Listeria monocytogenes Listeria monocytogenes GI = 4.2 % 14969531
NPT565 Organism Vibrio parahaemolyticus Vibrio parahaemolyticus GI = 27.1 % 14969531
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium GI = 23.3 % 14969531
NPT314 Organism Bacillus cereus Bacillus cereus GI = 3.6 % 14969531
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae MFC > 1600 ug/ml 12083872
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae MIC > 1600 ug/ml 12083872
NPT2 Others Unspecified Potency 1101.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54704.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 870.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61379.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54947.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6165.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7761.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61652.4 nM PubChem BioAssay data set
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 32 ug/ml 26191368
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 256 ug/ml 26191368

  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 NPC275462 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
0.9167 High Similarity NPC213764
0.913 High Similarity NPC52403
0.8846 High Similarity NPC279895
0.88 High Similarity NPC560
0.8519 High Similarity NPC110884
0.84 Intermediate Similarity NPC232554
0.8261 Intermediate Similarity NPC294703
0.8214 Intermediate Similarity NPC225783
0.8214 Intermediate Similarity NPC24506
0.8214 Intermediate Similarity NPC163556
0.8214 Intermediate Similarity NPC147096
0.8214 Intermediate Similarity NPC185041
0.8214 Intermediate Similarity NPC112242
0.8214 Intermediate Similarity NPC236797
0.8148 Intermediate Similarity NPC325345
0.8148 Intermediate Similarity NPC159845
0.8 Intermediate Similarity NPC199270
0.8 Intermediate Similarity NPC245688
0.7931 Intermediate Similarity NPC126915
0.7931 Intermediate Similarity NPC122962
0.7778 Intermediate Similarity NPC39869
0.7778 Intermediate Similarity NPC276332
0.7667 Intermediate Similarity NPC66124
0.7667 Intermediate Similarity NPC205141
0.7667 Intermediate Similarity NPC319034
0.7667 Intermediate Similarity NPC72324
0.7667 Intermediate Similarity NPC1748
0.7667 Intermediate Similarity NPC139131
0.7667 Intermediate Similarity NPC272998
0.7667 Intermediate Similarity NPC181516
0.7667 Intermediate Similarity NPC185538
0.7667 Intermediate Similarity NPC291158
0.7667 Intermediate Similarity NPC193062
0.76 Intermediate Similarity NPC39977
0.7419 Intermediate Similarity NPC283682
0.7407 Intermediate Similarity NPC252154
0.7391 Intermediate Similarity NPC311000
0.7333 Intermediate Similarity NPC267243
0.7308 Intermediate Similarity NPC23071
0.7308 Intermediate Similarity NPC256186
0.72 Intermediate Similarity NPC299484
0.72 Intermediate Similarity NPC88839
0.72 Intermediate Similarity NPC219266
0.72 Intermediate Similarity NPC110344
0.7188 Intermediate Similarity NPC97967
0.7097 Intermediate Similarity NPC12231
0.7097 Intermediate Similarity NPC152759
0.7037 Intermediate Similarity NPC88887
0.697 Remote Similarity NPC474914
0.697 Remote Similarity NPC61665
0.697 Remote Similarity NPC474392
0.6786 Remote Similarity NPC474048
0.6765 Remote Similarity NPC177022
0.6765 Remote Similarity NPC74352
0.6667 Remote Similarity NPC94144
0.6667 Remote Similarity NPC87529
0.6667 Remote Similarity NPC293908
0.6667 Remote Similarity NPC325034
0.6667 Remote Similarity NPC86412
0.6667 Remote Similarity NPC192065
0.6667 Remote Similarity NPC317203
0.6667 Remote Similarity NPC66052
0.6429 Remote Similarity NPC140389
0.6429 Remote Similarity NPC190797
0.64 Remote Similarity NPC236761
0.64 Remote Similarity NPC163707
0.6389 Remote Similarity NPC221022
0.6333 Remote Similarity NPC159398
0.6333 Remote Similarity NPC223195
0.6333 Remote Similarity NPC52362
0.625 Remote Similarity NPC149070
0.625 Remote Similarity NPC127074
0.625 Remote Similarity NPC197207
0.625 Remote Similarity NPC95174
0.625 Remote Similarity NPC187058
0.625 Remote Similarity NPC182541
0.6207 Remote Similarity NPC128335
0.6111 Remote Similarity NPC197039
0.6087 Remote Similarity NPC2724
0.6071 Remote Similarity NPC114270
0.6061 Remote Similarity NPC175342
0.6 Remote Similarity NPC320326
0.6 Remote Similarity NPC324353
0.5946 Remote Similarity NPC471282
0.5938 Remote Similarity NPC28077
0.5897 Remote Similarity NPC46248
0.5897 Remote Similarity NPC249801
0.5882 Remote Similarity NPC227267
0.5862 Remote Similarity NPC304786
0.5806 Remote Similarity NPC238135
0.5806 Remote Similarity NPC33415
0.5806 Remote Similarity NPC301586
0.5806 Remote Similarity NPC261397
0.5789 Remote Similarity NPC160261
0.5789 Remote Similarity NPC99573
0.5789 Remote Similarity NPC227707
0.5789 Remote Similarity NPC152008
0.5789 Remote Similarity NPC88278
0.5789 Remote Similarity NPC111882
0.5789 Remote Similarity NPC266553
0.5789 Remote Similarity NPC102981
0.5789 Remote Similarity NPC469759
0.5758 Remote Similarity NPC272426
0.5758 Remote Similarity NPC40965
0.575 Remote Similarity NPC144891
0.575 Remote Similarity NPC252978
0.575 Remote Similarity NPC76051
0.5676 Remote Similarity NPC40434
0.5676 Remote Similarity NPC34873
0.5625 Remote Similarity NPC270334
0.5625 Remote Similarity NPC174368
0.561 Remote Similarity NPC215358
0.561 Remote Similarity NPC107091
0.561 Remote Similarity NPC62014
0.561 Remote Similarity NPC469781
0.561 Remote Similarity NPC207656

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC275462 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
0.8148 Intermediate Similarity NPD8988 Clinical (unspecified phase)
0.7667 Intermediate Similarity NPD5383 Approved
0.7667 Intermediate Similarity NPD2272 Approved
0.7391 Intermediate Similarity NPD8223 Approved
0.6667 Remote Similarity NPD9052 Approved
0.6667 Remote Similarity NPD9051 Approved
0.6667 Remote Similarity NPD9053 Approved
0.64 Remote Similarity NPD8224 Approved
0.625 Remote Similarity NPD8814 Phase 3
0.6071 Remote Similarity NPD8225 Phase 3
0.5862 Remote Similarity NPD8797 Approved
0.5806 Remote Similarity NPD8549 Clinical (unspecified phase)
0.5789 Remote Similarity NPD8995 Clinical (unspecified phase)
0.5789 Remote Similarity NPD8996 Phase 3
0.5789 Remote Similarity NPD7536 Approved
0.5758 Remote Similarity NPD908 Approved
0.5758 Remote Similarity NPD907 Approved
0.5758 Remote Similarity NPD1461 Approved
0.5676 Remote Similarity NPD8977 Phase 3
0.5676 Remote Similarity NPD8976 Approved
0.561 Remote Similarity NPD9218 Clinical (unspecified phase)
0.561 Remote Similarity NPD9219 Approved

Structure

External Identifiers

PubChem CID   8103
ChEMBL   CHEMBL14085
ZINC  

Physicochemical Properties

Molecular Weight:  102.10
ALogP:  -1.5494
MLogP:  2.01
XLogP:  1.989
# Rotatable Bonds:  6
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  7

Download Data

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