Natural Product: NPC125575

Natural Product ID:  NPC125575
Common Name:   Glutarate
IUPAC Name:   hydron;pentanedioate
Synonyms:   Glutarate
Molecular Formula:   C5H8O4
Standard InCHIKey:  JFCQEDHGNNZCLN-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
Canonical SMILES:  OC(=O)CCCC(=O)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
NPO14873 Pityrodia ternifolia Species Lamiaceae Eukaryota UNPD*
NPO15997 Aglaia cordata Species Meliaceae Eukaryota UNPD*
NPO23413 Crematogaster africana Species Formicidae Eukaryota UNPD*
NPO10093 Castanopsis hystrix Species Fagaceae Eukaryota UNPD*
NPO14061 Tetraploa aristata Species Tetraplosphaeriaceae Eukaryota UNPD*
NPO23834 Chlamydomonas allensworthii Species Chlamydomonadaceae Eukaryota UNPD*
NPO15628 Strychnos panamensis Species Loganiaceae Eukaryota UNPD*
NPO12805 Othonna intermedia Species Asteraceae Eukaryota UNPD*
NPO23739 Staehelina fruticosa Species Asteraceae Eukaryota UNPD*
NPO15398 Rhizopus stolonifer Species Rhizopodaceae Eukaryota UNPD*
NPO22455 Corydalis sewerzowi Species Papaveraceae Eukaryota UNPD*
NPO22561 Dickeya chrysanthemi Species Pectobacteriaceae Bacteria UNPD*
NPO23961 Scytonema ocellatum Species Scytonemataceae Bacteria UNPD*
NPO13028 Trichoscypha acuminata Species Anacardiaceae Eukaryota UNPD*
NPO24290 Claviceps microcephala Species Clavicipitaceae Eukaryota UNPD*
NPO22143 Genista sessilifolia Species Fabaceae Eukaryota UNPD*
NPO12429 Acicarpha tribuloides Species Calyceraceae Eukaryota UNPD*
NPO12029 Sicana odorifera Species Cucurbitaceae Eukaryota UNPD*
NPO23920 Amanita pseudoporphyria Species Amanitaceae Eukaryota UNPD*
NPO24408 Ariocarpus fissuratus Species Cactaceae Eukaryota UNPD*
NPO24364 Petrosia corticata Species Petrosiidae Eukaryota UNPD*
NPO24249 Codonopsis cordifolioidea Species Campanulaceae Eukaryota UNPD*
NPO15302 Acronychia acidula Species Rutaceae Eukaryota UNPD*
NPO27213 Nephrolepis biserrata Species Lomariopsidaceae Eukaryota UNPD*
NPO16742.1 Syringa pubescens subsp. patula Subspecies Oleaceae Eukaryota UNPD*
NPO6038 Acanthamoeba culbertsoni Species Acanthamoebidae Eukaryota UNPD*
NPO22595 Trapa bicornis Species Lythraceae Eukaryota UNPD*
NPO14746 Uroblaniulus canadensis Species Parajulidae Eukaryota UNPD*
NPO15723 Bupleurum aureum Species Apiaceae Eukaryota UNPD*
NPO12505 Stigmodera macularia Species Buprestidae Eukaryota UNPD*
NPO15092 Alternaria infectoria Species Pleosporaceae Eukaryota UNPD*
NPO23792 Gomphostemma parviflorum Species Lamiaceae Eukaryota UNPD*
NPO2740 Pteris plumbea Species Pteridaceae Eukaryota UNPD*
NPO20998 Machaerium kuhlmannii Species Dolichopodidae Eukaryota UNPD*
NPO23610 Aconitum tianschanicum Species Ranunculaceae Eukaryota UNPD*
NPO21963 Hypericum japonicum Species Hypericaceae Eukaryota UNPD*
NPO23281 Aplysinella rhax Species Aplysinellidae Eukaryota UNPD*
NPO15813 Spiraea formosa Species Rosaceae Eukaryota UNPD*
NPO23696 Solanum diflorum Species Solanaceae Eukaryota UNPD*
NPO8604 Helichrysum zeyheri Species Asteraceae Eukaryota UNPD*
NPO15903 Goupia tomentosa Species Goupiaceae Eukaryota UNPD*
NPO19535 Senecio zoellneri Species Asteraceae Eukaryota UNPD*
NPO13232 Gaillardia tontalensis Species Asteraceae Eukaryota UNPD*
NPO1159 Artemisia laciniata Species Asteraceae Eukaryota UNPD*
NPO24132 Euphausia superba Species Euphausiidae Eukaryota UNPD*
NPO14467 Senecio taiwanensis Species Asteraceae Eukaryota UNPD*
NPO7047 Psiadia arabica Species Asteraceae Eukaryota UNPD*
NPO23043 Cryptolestes pusillus Species Laemophloeidae Eukaryota UNPD*
NPO24090 Aplysilla rosea Species Darwinellidae Eukaryota UNPD*
NPO16043 Centaurea musimomum Species Asteraceae Eukaryota UNPD*
NPO24048 Cladonia pityrea Species Cladoniaceae Eukaryota UNPD*
NPO24445 Arbacia pustulosa Species Arbaciidae Eukaryota UNPD*
NPO20637 Piper acutifolium Species Piperaceae Eukaryota UNPD*
NPO7859 Euonymus atropurpurea Species Celastraceae Eukaryota UNPD*
NPO738 Dahlstedtia pentaphylla Species Fabaceae Eukaryota UNPD*
NPO23364 Lambertella corni Species Rutstroemiaceae Eukaryota UNPD*
NPO14893 Streptomyces eurocidicus Species Streptomycetaceae Bacteria UNPD*
NPO13481 Laurencia claviformis Species Rhodomelaceae Eukaryota UNPD*
NPO21827 Albatrellus caeruleoporus Species Albatrellaceae Eukaryota UNPD*
NPO12323 Bos taurus Species Bovidae Eukaryota HerDing*
NPO11796 Morus australis Species Moraceae Eukaryota UNPD*
NPO26219 Sorbus coronata Species Rosaceae Eukaryota UNPD*
NPO23459 Onoseris alata Species Asteraceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva DOI[10.1007/s11306-012-0464-y]
NPO23114 Cacalia robusta Species Asteraceae Eukaryota UNPD*
NPO21625 Bidens tripartita Species Asteraceae Eukaryota UNPD*
NPO13895 Sessibugula translucens NA NA NA UNPD*
NPO14205 Uraria picta Species Fabaceae Eukaryota UNPD*
NPO8593 Zygosaccharomyces rouxii Species Saccharomycetaceae Eukaryota UNPD*
NPO9541 Suaeda salsa Species Chenopodiaceae Eukaryota UNPD*
NPO23318 Aconitum palmatum Species Ranunculaceae Eukaryota UNPD*
NPO13356 Thalictrum fauriei Species Ranunculaceae Eukaryota UNPD*
NPO15410 Erlangea cordifolia Species Asteraceae Eukaryota UNPD*
NPO15538 Corymbia citriodora Species Myrtaceae Eukaryota UNPD*
NPO25076 Salicornia herbacea Species Chenopodiaceae Eukaryota UNPD*
NPO23499 Carpesium faberi Species Asteraceae Eukaryota UNPD*
NPO13749 Luvunga scandens Species Rutaceae Eukaryota UNPD*
NPO12291 Rhodococcus ruber Species Nocardiaceae Bacteria UNPD*
NPO23600 Bridelia moonii Species Phyllanthaceae Eukaryota UNPD*
NPO11261 Euclea natalensis Species Ebenaceae Eukaryota UNPD*
NPO23211 Xyris indica Species Xyridaceae Eukaryota UNPD*
NPO22324 Erium villosum Species Pseudococcidae Eukaryota UNPD*
NPO24005 Mytilus galloprovincialis Species Mytilidae Eukaryota UNPD*
NPO12323 Bos taurus Species Bovidae Eukaryota TCMID*
NPO4010 Flemingia philippinensis Species Fabaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota PMID[15505398]
NPO24176 Streptomyces fradiae Species Streptomycetaceae Bacteria UNPD*
NPO17393 Bubalus bubalis Species Bovidae Eukaryota TCMID*
NPO5208 Ligusticum lucidum Species Apiaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[8412012]
NPO11598 Callitris macleayana Species Cupressaceae Eukaryota UNPD*
NPO23545 Vellozia streptophylla Species Velloziaceae Eukaryota UNPD*
NPO14624 Pertusaria pseudocorallina Species Pertusariaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[22411374]
NPO14334 Picea jezoensis Species Pinaceae Eukaryota UNPD*
NPO9145 Herbertus aduncus Species Herbertaceae Eukaryota UNPD*
NPO5782 Aniba rosaeodora Species Lauraceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid PMID[10604139]
NPO23924 Psilotum nudum Species Psilotaceae Eukaryota UNPD*
NPO13127 Vallaris heynei Species Apocynaceae Eukaryota UNPD*
NPO17737 Lepidorhinus squamosus NA NA NA UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[10197568]
NPO9204 Streptomyces argillaceus Species Streptomycetaceae Bacteria UNPD*
NPO1836 Eupatorium recurvans Species Asteraceae Eukaryota UNPD*
NPO23884 Hippobroma longiflora Species Campanulaceae Eukaryota UNPD*
NPO21027 Daphnia magna Species Daphniidae Eukaryota PMID[20117838]
NPO24219 Erylus nobilis Species Geodiidae Eukaryota UNPD*
NPO10595 Othonna cylindrica Species Asteraceae Eukaryota UNPD*
NPO25583 Beta vulgaris Species Chenopodiaceae Eukaryota TCM_Taiwan*
NPO4299 Michelia longifolia Species Magnoliaceae Eukaryota UNPD*
NPO18976 Centaurea arbutifolia Species Asteraceae Eukaryota UNPD*
NPO31132 Eucalyptus citriodora Species Myrtaceae Eukaryota TCM_Taiwan*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT661 Individual Protein Solute carrier family 22 member 6 Mus musculus Ki = 6760.83 nM 17553798
NPT661 Individual Protein Solute carrier family 22 member 6 Mus musculus Ki = 6700 nM 17553798
NPT662 Individual Protein Solute carrier family 22 member 20 Mus musculus Ki = 5370317.96 nM 17553798
NPT662 Individual Protein Solute carrier family 22 member 20 Mus musculus Ki = 5410000 nM 17553798
NPT665 Individual Protein Solute carrier family 22 member 6 Homo sapiens IC50 = 4900 nM 10929807
NPT2 Others Unspecified Potency 30.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61652.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68589.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21455.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17376 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21875.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 534.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21271.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23867 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 NPC125575 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
0.8824 High Similarity NPC206924
0.8571 High Similarity NPC325454
0.8387 Intermediate Similarity NPC174368
0.8182 Intermediate Similarity NPC328710
0.8182 Intermediate Similarity NPC18224
0.8108 Intermediate Similarity NPC240109
0.8056 Intermediate Similarity NPC128713
0.7692 Intermediate Similarity NPC310220
0.7647 Intermediate Similarity NPC175342
0.75 Intermediate Similarity NPC134782
0.7429 Intermediate Similarity NPC127142
0.7429 Intermediate Similarity NPC7814
0.7419 Intermediate Similarity NPC149209
0.7317 Intermediate Similarity NPC242655
0.7317 Intermediate Similarity NPC38891
0.7222 Intermediate Similarity NPC317203
0.7105 Intermediate Similarity NPC268826
0.7027 Intermediate Similarity NPC155263
0.697 Remote Similarity NPC236709
0.6923 Remote Similarity NPC183424
0.6923 Remote Similarity NPC118968
0.6923 Remote Similarity NPC294085
0.6923 Remote Similarity NPC214610
0.6857 Remote Similarity NPC280532
0.6842 Remote Similarity NPC252843
0.6842 Remote Similarity NPC158179
0.6842 Remote Similarity NPC317945
0.6842 Remote Similarity NPC109026
0.6765 Remote Similarity NPC122768
0.6765 Remote Similarity NPC61066
0.6765 Remote Similarity NPC151140
0.6765 Remote Similarity NPC104195
0.6667 Remote Similarity NPC99700
0.6667 Remote Similarity NPC476469
0.6667 Remote Similarity NPC293378
0.6667 Remote Similarity NPC73245
0.6667 Remote Similarity NPC38930
0.6571 Remote Similarity NPC198126
0.6522 Remote Similarity NPC273330
0.6522 Remote Similarity NPC137958
0.65 Remote Similarity NPC113928
0.65 Remote Similarity NPC201844
0.65 Remote Similarity NPC3531
0.65 Remote Similarity NPC279026
0.65 Remote Similarity NPC261080
0.65 Remote Similarity NPC154186
0.65 Remote Similarity NPC301696
0.65 Remote Similarity NPC301585
0.65 Remote Similarity NPC14227
0.6486 Remote Similarity NPC57499
0.6429 Remote Similarity NPC289686
0.6383 Remote Similarity NPC15129
0.6364 Remote Similarity NPC230726
0.6364 Remote Similarity NPC314668
0.6304 Remote Similarity NPC46254
0.6286 Remote Similarity NPC292641
0.6286 Remote Similarity NPC248139
0.625 Remote Similarity NPC263065
0.625 Remote Similarity NPC189178
0.6216 Remote Similarity NPC286695
0.619 Remote Similarity NPC149184
0.619 Remote Similarity NPC171736
0.619 Remote Similarity NPC325452
0.619 Remote Similarity NPC103286
0.619 Remote Similarity NPC196924
0.619 Remote Similarity NPC163746
0.619 Remote Similarity NPC248763
0.619 Remote Similarity NPC209970
0.619 Remote Similarity NPC307783
0.619 Remote Similarity NPC216630
0.6129 Remote Similarity NPC181153
0.6122 Remote Similarity NPC323401
0.6122 Remote Similarity NPC19676
0.6122 Remote Similarity NPC65985
0.6111 Remote Similarity NPC320981
0.6111 Remote Similarity NPC16947
0.6061 Remote Similarity NPC28246
0.6053 Remote Similarity NPC307027
0.6047 Remote Similarity NPC71317
0.6047 Remote Similarity NPC129972
0.6047 Remote Similarity NPC301528
0.6047 Remote Similarity NPC276294
0.6047 Remote Similarity NPC67462
0.6 Remote Similarity NPC133771
0.6 Remote Similarity NPC154626
0.6 Remote Similarity NPC2801
0.6 Remote Similarity NPC6883
0.5946 Remote Similarity NPC328569
0.5946 Remote Similarity NPC12904
0.5918 Remote Similarity NPC317680
0.5918 Remote Similarity NPC277878
0.5909 Remote Similarity NPC74845
0.5909 Remote Similarity NPC255837
0.5909 Remote Similarity NPC19305
0.5909 Remote Similarity NPC323974
0.5909 Remote Similarity NPC319680
0.5897 Remote Similarity NPC191084
0.5897 Remote Similarity NPC289344
0.5897 Remote Similarity NPC250870
0.5897 Remote Similarity NPC316685
0.5897 Remote Similarity NPC156630
0.5897 Remote Similarity NPC168052
0.5882 Remote Similarity NPC60830
0.5882 Remote Similarity NPC49028
0.5882 Remote Similarity NPC3343
0.5882 Remote Similarity NPC68743
0.5833 Remote Similarity NPC180423
0.58 Remote Similarity NPC196612
0.5778 Remote Similarity NPC327698
0.5778 Remote Similarity NPC118459
0.5778 Remote Similarity NPC8219
0.5778 Remote Similarity NPC55023
0.5769 Remote Similarity NPC473936
0.5769 Remote Similarity NPC198377
0.5758 Remote Similarity NPC199270
0.575 Remote Similarity NPC5505
0.575 Remote Similarity NPC154642
0.575 Remote Similarity NPC80396
0.575 Remote Similarity NPC1037
0.575 Remote Similarity NPC321699
0.5714 Remote Similarity NPC219536
0.5714 Remote Similarity NPC248233
0.5714 Remote Similarity NPC143211
0.5714 Remote Similarity NPC81263
0.5714 Remote Similarity NPC31551
0.5686 Remote Similarity NPC322573
0.5676 Remote Similarity NPC241404
0.5652 Remote Similarity NPC12438
0.5652 Remote Similarity NPC117572
0.5652 Remote Similarity NPC30195
0.5652 Remote Similarity NPC166287
0.5652 Remote Similarity NPC314679
0.5641 Remote Similarity NPC154396
0.561 Remote Similarity NPC321569
0.56 Remote Similarity NPC197087
0.56 Remote Similarity NPC190184

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC125575 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
0.75 Intermediate Similarity NPD8975 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD8857 Approved
0.7317 Intermediate Similarity NPD8974 Clinical (unspecified phase)
0.697 Remote Similarity NPD8593 Approved
0.697 Remote Similarity NPD8594 Approved
0.6923 Remote Similarity NPD9655 Approved
0.6667 Remote Similarity NPD9129 Approved
0.6667 Remote Similarity NPD9126 Approved
0.6667 Remote Similarity NPD71 Approved
0.6585 Remote Similarity NPD9116 Phase 1
0.6571 Remote Similarity NPD8618 Approved
0.6522 Remote Similarity NPD8871 Approved
0.6522 Remote Similarity NPD8872 Phase 3
0.65 Remote Similarity NPD633 Phase 3
0.65 Remote Similarity NPD9450 Approved
0.65 Remote Similarity NPD77 Approved
0.65 Remote Similarity NPD9448 Phase 2
0.6444 Remote Similarity NPD9127 Approved
0.6444 Remote Similarity NPD70 Approved
0.6444 Remote Similarity NPD9121 Approved
0.6444 Remote Similarity NPD108 Approved
0.6444 Remote Similarity NPD9122 Approved
0.6444 Remote Similarity NPD9130 Phase 3
0.6444 Remote Similarity NPD9125 Approved
0.6444 Remote Similarity NPD9128 Approved
0.6444 Remote Similarity NPD109 Approved
0.6444 Remote Similarity NPD9124 Approved
0.6444 Remote Similarity NPD9123 Approved
0.6341 Remote Similarity NPD9635 Discontinued
0.6286 Remote Similarity NPD62 Approved
0.6286 Remote Similarity NPD8617 Approved
0.6286 Remote Similarity NPD8619 Approved
0.625 Remote Similarity NPD9204 Approved
0.625 Remote Similarity NPD8851 Phase 1
0.625 Remote Similarity NPD9205 Approved
0.619 Remote Similarity NPD2270 Approved
0.6129 Remote Similarity NPD8201 Phase 2
0.6129 Remote Similarity NPD8615 Phase 2
0.6129 Remote Similarity NPD8616 Clinical (unspecified phase)
0.6111 Remote Similarity NPD8590 Approved
0.6061 Remote Similarity NPD8591 Approved
0.6061 Remote Similarity NPD8592 Approved
0.5918 Remote Similarity NPD9007 Approved
0.5918 Remote Similarity NPD64 Approved
0.5918 Remote Similarity NPD65 Approved
0.5918 Remote Similarity NPD9010 Approved
0.5918 Remote Similarity NPD66 Approved
0.5918 Remote Similarity NPD72 Approved
0.5918 Remote Similarity NPD9008 Approved
0.5918 Remote Similarity NPD8960 Approved
0.5918 Remote Similarity NPD9009 Approved
0.5918 Remote Similarity NPD9011 Approved
0.5909 Remote Similarity NPD9019 Approved
0.5897 Remote Similarity NPD9447 Approved
0.5897 Remote Similarity NPD8596 Approved
0.5778 Remote Similarity NPD3199 Clinical (unspecified phase)
0.575 Remote Similarity NPD8597 Approved
0.5745 Remote Similarity NPD2266 Phase 2
0.5714 Remote Similarity NPD8990 Clinical (unspecified phase)
0.5652 Remote Similarity NPD9431 Approved
0.5652 Remote Similarity NPD4222 Approved
0.5652 Remote Similarity NPD9430 Approved
0.5652 Remote Similarity NPD634 Phase 3
0.561 Remote Similarity NPD9111 Approved
0.561 Remote Similarity NPD9113 Discontinued
0.561 Remote Similarity NPD9117 Approved
0.561 Remote Similarity NPD9449 Clinical (unspecified phase)
0.56 Remote Similarity NPD8785 Approved

Structure

External Identifiers

PubChem CID   23322899;743
ChEMBL   CHEMBL1162495
ZINC  

Physicochemical Properties

Molecular Weight:  132.04
ALogP:  -0.698
MLogP:  1.57
XLogP:  -0.352
# Rotatable Bonds:  6
Polar Surface Area:  74.6
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  9

Download Data

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