Natural Product: NPC32279

Natural Product ID:  NPC32279
Common Name:   Heptanal
IUPAC Name:   heptanal
Synonyms:   Heptaldehyde; Heptanal
Molecular Formula:   C7H14O
Standard InCHIKey:  FXHGMKSSBGDXIY-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
Canonical SMILES:  CCCCCCC=O
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
NPO26378 Bistorta manshuriensis Species Polygonaceae Eukaryota TM-MC*
NPO23213 Bistorta officinalis Species Polygonaceae Eukaryota TM-MC*
NPO26406 Saussurea carthamoides Species Asteraceae Eukaryota UNPD*
NPO26900 Vallota purpurea NA NA NA UNPD*
NPO5446 Campsis flos Species Bignoniaceae Eukaryota TCMSP*
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota TM-MC*
NPO16039 Scutellaria barbata Species Lamiaceae Eukaryota TM-MC*
NPO26584 Gnidia lamprantha Species Thymelaeaceae Eukaryota UNPD*
NPO26211 Knightia excelsa Species Proteaceae Eukaryota UNPD*
NPO29588 Ganoderma Genus Ganodermataceae Eukaryota TCMSP*
NPO3107 Bupleurum falcatum Species Apiaceae Eukaryota TM-MC*
NPO26451 Ophiocoma scolopendrina Species Ophiocomidae Eukaryota UNPD*
NPO26287 Spodoptera eridania Species Noctuidae Eukaryota UNPD*
NPO25739 Erysimum odoratum Species Brassicaceae Eukaryota UNPD*
NPO29657 Zanthoxyli pericarpium NA NA NA TCMSP*
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota TM-MC*
NPO29438 Radix chuanxiong Species Lymnaeidae Eukaryota TCMID*
NPO26806 Nidula candida Species Nidulariaceae Eukaryota UNPD*
NPO25896 Bragantia wallichii NA NA NA UNPD*
NPO8455 Magnolia officinalis rehd et wils Species Magnoliaceae Eukaryota TCMSP*
NPO26561 Micromeria pineolens Species Lamiaceae Eukaryota UNPD*
NPO18129 Notopterygii rhizoma et radix NA NA NA TCMSP*
NPO16501 Capsicum annuum Species Solanaceae Eukaryota TM-MC*
NPO22834 Rhizoma chuanxiong NA NA NA TCMID*
NPO26023 Angelica tarokoensis Species Apiaceae Eukaryota UNPD*
NPO26699 Leonurus glaucescens Species Lamiaceae Eukaryota UNPD*
NPO25951 Chuanxiong rhizoma NA NA NA TCMSP*
NPO28260 Senna alexandrina Species Fabaceae Eukaryota TM-MC*
NPO27018 Cynomorium songaricum Species Cynomoriaceae Eukaryota TCMID*
NPO26134 Epimedium davidii Species Berberidaceae Eukaryota UNPD*
NPO26507 Galenia africana Species Aizoaceae Eukaryota UNPD*
NPO29555 Evodiae fructus NA NA NA TCMSP*
NPO9445 Crocus sativus Species Iridaceae Eukaryota TM-MC*
NPO8108.1 Citrullus lanatus subsp. vulgaris Subspecies Cucurbitaceae Eukaryota TCMID*
NPO26607 Colobocentrotus atratus Species Echinidae Eukaryota UNPD*
NPO2898 Quercus sessiliflora Species Fagaceae Eukaryota UNPD*
NPO29700 Peucedani radix NA NA NA TCMSP*
NPO163 Daucus carota Species Apiaceae Eukaryota TM-MC*
NPO10608 Exodermis poria NA NA NA TCMID*
NPO25769 Heterotheca inuloides Species Asteraceae Eukaryota UNPD*
NPO25870 Vaccinium vitis-idaea Species Ericaceae Eukaryota UNPD*
NPO17506 Semen pharbitidis NA NA NA TCMSP*
NPO8874 Glehnia littoralis Species Apiaceae Eukaryota TM-MC*
NPO22234 Ficus carica Species Moraceae Eukaryota TCMID*
NPO25923 Vismia jefensis Species Hypericaceae Eukaryota UNPD*
NPO26624 Ilex amara Species Aquifoliaceae Eukaryota UNPD*
NPO3041 Rhizome of whiteback greenbrier NA NA NA TCMSP*
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota TM-MC*
NPO420 Eucheuma muricatum Species Solieriaceae Eukaryota TCMID*
NPO25792 Delphinium andersoni Species Ranunculaceae Eukaryota UNPD*
NPO26184 Diphasia angolensis Species Rutaceae Eukaryota UNPD*
NPO28423 Apocyniveneti folium NA NA NA TCMSP*
NPO11247 Fructus hippophae NA NA NA TCMID*
NPO25972 Eupolyphaga sinensis Species Corydiidae Eukaryota UNPD*
NPO25949 Streptomyces griseovariabilis Species Streptomycetaceae Bacteria UNPD*
NPO26052 Swertia delavayi Species Gentianaceae Eukaryota UNPD*
NPO4054 Lysimachiae foenigraeci herba NA NA NA TCMSP*
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota TCMID*
NPO7447 Nemalion vermiculare Species Liagoraceae Eukaryota UNPD*
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TCMSP*
NPO18195 Maydis seigma NA NA NA TCMSP*
NPO26429 Capsella bursa-pastoris Species Brassicaceae Eukaryota TCMID*
NPO26319 Solanum acaule Species Solanaceae Eukaryota UNPD*
NPO19552 Notoginseng flos NA NA NA TCMSP*
NPO29719 Ginkgo biloba Species Ginkgoaceae Eukaryota TCMSP*
NPO5510 Lepidium draba Species Brassicaceae Eukaryota UNPD*
NPO22505 Bombax ceiba Species Malvaceae Eukaryota UNPD*
NPO29594 Herba taxilli NA NA NA TCMSP*
NPO29653 Hippophae fructus Species Elaeagnaceae Eukaryota TCMSP*
NPO26374 Alangium premnifolium Species Cornaceae Eukaryota UNPD*
NPO26266 Isodon japonicus Species Lamiaceae Eukaryota UNPD*
NPO26003 Adenophprae ae radix NA NA NA TCMSP*
NPO29541 Allii tuberosi semen NA NA NA TCMSP*
NPO26927 Salacia madagascariensis Species Celastraceae Eukaryota UNPD*
NPO26654 Penicillium citreonigrum Species Aspergillaceae Eukaryota UNPD*
NPO1771 Rose rugosae flos NA NA NA TCMSP*
NPO28985 Radix bupleuri Species Lymnaeidae Eukaryota TCMSP*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TM-MC*
NPO26950 Maba buxifolia Species Ebenaceae Eukaryota UNPD*
NPO29646 Citri fructus NA NA NA TCMSP*
NPO13103 Radix angelicae biseratae Species Lymnaeidae Eukaryota TCMSP*
NPO13879 Humulus lupulus Species Cannabaceae Eukaryota TM-MC*
NPO26834 Eutypella scoparia Species Diatrypaceae Eukaryota UNPD*
NPO4750 Meliae azedarach fructus NA NA NA TCMSP*
NPO14650 Lobelia chinensis Species Campanulaceae Eukaryota TM-MC*
NPO25995 Laurencia distichophylla Species Rhodomelaceae Eukaryota UNPD*
NPO4143 Coriandri sativi herba NA NA NA TCMSP*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota TM-MC*
NPO26161 Globba malaccensis Species Zingiberaceae Eukaryota UNPD*
NPO19649 Akebia quinata Species Lardizabalaceae Eukaryota TM-MC*
NPO23429 Lycium barbarum Species Solanaceae Eukaryota TM-MC*
NPO11247 Fructus hippophae NA NA NA HerDing*
NPO11170 Akebia trifoliata Species Lardizabalaceae Eukaryota TM-MC*
NPO17823 Lycium chinense Species Solanaceae Eukaryota TM-MC*
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota TCM_Taiwan*
NPO2997 Aloe africana Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO24644 Hansenia forbesii Species Apiaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[23454028]
NPO11578 Aloe vera Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO2392 Hansenia weberbaueriana Species Apiaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[24421258]
NPO10515 Angelicae sinensis radix NA NA NA TCMSP*
NPO14763 Aloe ferox Species Asphodelaceae Eukaryota TM-MC*
NPO15479 Oldenlandia diffusa Species Rubiaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[22626821]
NPO29545 Capsici fructus NA NA NA TCMSP*
NPO2837 Aloe spicata Species Asphodelaceae Eukaryota TM-MC*
NPO2953 Ostericum grosseserratum Species Apiaceae Eukaryota TM-MC*
NPO2345 Coriandrum sativum Species Apiaceae Eukaryota TCM_Taiwan*
NPO15835 Glycyrrhiza Species Fabaceae Eukaryota TCMSP*
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TM-MC*
NPO27018 Cynomorium songaricum Species Cynomoriaceae Eukaryota HerDing*
NPO32 Peucedanidecursivi radix NA NA NA TCMSP*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TM-MC*
NPO30125 Notopterygium forbesii NA NA NA TCM_Taiwan*
NPO9462 Ligustici rhizoma et radix NA NA NA TCMSP*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO20712 Panax quinquefolius Species Araliaceae Eukaryota TM-MC*
NPO28276 Artemisia argyi Species Asteraceae Eukaryota TM-MC*
NPO20930 Patrinia scabiosifolia Species Caprifoliaceae Eukaryota TM-MC*
NPO31073 Ligusticum chuanxiong Species Apiaceae Eukaryota TCM_Taiwan*
NPO29721 Cuscutae semen NA NA NA TCMSP*
NPO10492 Artemisia montana Species Asteraceae Eukaryota TM-MC*
NPO9090 Patrinia villosa Species Caprifoliaceae Eukaryota TM-MC*
NPO31073 Ligusticum chuanxiong Species Apiaceae Eukaryota HerDing*
NPO29579 Arisaematis rhizoma NA NA NA TCMSP*
NPO25094 Artemisia princeps Species Asteraceae Eukaryota TM-MC*
NPO19048 Pinellia ternata Species Araceae Eukaryota TM-MC*
NPO26349 Frullania tamarisci Species Frullaniaceae Eukaryota UNPD*
NPO19092 Morindae officinalis radix NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1528 Individual Protein Phenylethanolamine N-methyltransferase Bos taurus IC50 = 109000 nM 7205880
NPT1418 Individual Protein Anandamide amidohydrolase Homo sapiens Inhibition = -14.53 % 19850474
NPT347 Cell Line Lymphoblastoid cells Homo sapiens Potency = 10000 nM PubChem BioAssay data set
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 7943.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 25118.9 nM PubChem BioAssay data set
NPT348 Organism Myzus persicae Myzus persicae Ratio = 3 10995371
NPT348 Organism Myzus persicae Myzus persicae LD50 = 5 ug/ml 10995371
NPT348 Organism Myzus persicae Myzus persicae LD50 = 15 ug/ml 10995371
NPT2 Others Unspecified Potency 68589.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 156.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 43277.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5494.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48557.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 55648.3 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 NPC32279 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
0.9231 High Similarity NPC59581
0.8966 High Similarity NPC254713
0.8966 High Similarity NPC261991
0.8966 High Similarity NPC262505
0.8966 High Similarity NPC179831
0.8966 High Similarity NPC49151
0.8462 Intermediate Similarity NPC164646
0.8387 Intermediate Similarity NPC49615
0.7879 Intermediate Similarity NPC301919
0.7692 Intermediate Similarity NPC37479
0.7647 Intermediate Similarity NPC69245
0.7576 Intermediate Similarity NPC218357
0.75 Intermediate Similarity NPC66624
0.7333 Intermediate Similarity NPC287782
0.7241 Intermediate Similarity NPC79591
0.7097 Intermediate Similarity NPC79887
0.7097 Intermediate Similarity NPC42403
0.7097 Intermediate Similarity NPC221192
0.7097 Intermediate Similarity NPC222997
0.7097 Intermediate Similarity NPC4962
0.7097 Intermediate Similarity NPC29561
0.7097 Intermediate Similarity NPC196434
0.7097 Intermediate Similarity NPC153439
0.6897 Remote Similarity NPC304927
0.6897 Remote Similarity NPC289974
0.6875 Remote Similarity NPC168982
0.6786 Remote Similarity NPC133819
0.6774 Remote Similarity NPC295442
0.6774 Remote Similarity NPC38859
0.6774 Remote Similarity NPC198118
0.6667 Remote Similarity NPC16578
0.6667 Remote Similarity NPC76608
0.6667 Remote Similarity NPC268596
0.6667 Remote Similarity NPC149101
0.6667 Remote Similarity NPC225318
0.6579 Remote Similarity NPC48930
0.6562 Remote Similarity NPC158107
0.6552 Remote Similarity NPC30338
0.6538 Remote Similarity NPC1502
0.6429 Remote Similarity NPC32603
0.6333 Remote Similarity NPC129976
0.6316 Remote Similarity NPC80234
0.6207 Remote Similarity NPC33928
0.619 Remote Similarity NPC239754
0.6154 Remote Similarity NPC149299
0.6154 Remote Similarity NPC250028
0.6154 Remote Similarity NPC256163
0.6154 Remote Similarity NPC40597
0.6111 Remote Similarity NPC156630
0.6071 Remote Similarity NPC141986
0.6053 Remote Similarity NPC22903
0.6053 Remote Similarity NPC305660
0.6053 Remote Similarity NPC201622
0.6053 Remote Similarity NPC54980
0.6047 Remote Similarity NPC110234
0.6047 Remote Similarity NPC163751
0.6047 Remote Similarity NPC44363
0.6 Remote Similarity NPC53541
0.5946 Remote Similarity NPC80396
0.5946 Remote Similarity NPC154642
0.5946 Remote Similarity NPC155263
0.5938 Remote Similarity NPC100997
0.5909 Remote Similarity NPC13105
0.5897 Remote Similarity NPC31551
0.5897 Remote Similarity NPC223249
0.5897 Remote Similarity NPC219536
0.5862 Remote Similarity NPC222945
0.5854 Remote Similarity NPC176500
0.5854 Remote Similarity NPC236579
0.5854 Remote Similarity NPC203531
0.5833 Remote Similarity NPC57499
0.5769 Remote Similarity NPC146289
0.575 Remote Similarity NPC161097
0.575 Remote Similarity NPC28598
0.575 Remote Similarity NPC165533
0.5714 Remote Similarity NPC237869
0.5714 Remote Similarity NPC76051
0.5714 Remote Similarity NPC147212
0.5676 Remote Similarity NPC317203
0.5676 Remote Similarity NPC289344
0.5667 Remote Similarity NPC185768
0.5667 Remote Similarity NPC254524
0.5641 Remote Similarity NPC223315

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC32279 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
0.5641 Remote Similarity NPD3206 Approved

Structure

External Identifiers

PubChem CID   8130
ChEMBL   CHEMBL18104
ZINC  

Physicochemical Properties

Molecular Weight:  114.10
ALogP:  -1.2583
MLogP:  2.12
XLogP:  2.863
# Rotatable Bonds:  6
Polar Surface Area:  17.07
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  8

Download Data

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