Natural Product: NPC301950

Natural Product ID:  NPC301950
Common Name:   Oxalic Acid
IUPAC Name:   hydron;oxalate
Synonyms:   Oxalic Acid; Oxalic Acid Dianion
Molecular Formula:   C2H2O4
Standard InCHIKey:  MUBZPKHOEPUJKR-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
Canonical SMILES:  OC(=O)C(=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
NPO29698 Imperatae rhizoma NA NA NA TCMSP*
NPO3330 Capsellae herba NA NA NA TCMSP*
NPO18195 Maydis seigma NA NA NA TCMSP*
NPO28184 Folium nelumbinis NA NA NA TCMSP*
NPO29653 Hippophae fructus Species Elaeagnaceae Eukaryota TCMSP*
NPO29551 Mori fructus NA NA NA TCMSP*
NPO18744 Verbenae herb NA NA NA TCMSP*
NPO22337 Garcinia dulcis Species Clusiaceae Eukaryota UNPD*
NPO29621 Portulacae herba NA NA NA TCMSP*
NPO18845 Hebeloma spoliatum Species Cortinariaceae Eukaryota UNPD*
NPO29566 Choerospondiatis fructus NA NA NA TCMSP*
NPO13110 Pyxine endochrysina Species Caliciaceae Eukaryota UNPD*
NPO14582 Spinacia oleracea Species Chenopodiaceae Eukaryota TCM_Taiwan*
NPO29616 Polygoni avicularis herba NA NA NA TCMSP*
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota TCM_Taiwan*
NPO17732 Coriolus Species Coriolaceae Eukaryota TCMSP*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[22308371]
NPO425 Streptomyces cattleya Species Streptomycetaceae Bacteria StreptomeDB*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[9573551]
NPO16501 Capsicum annuum Species Solanaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[24023812]
NPO16931 Cichorium glandulosum Species Asteraceae Eukaryota TM-MC*
NPO18681 Artemisia scoparia Species Asteraceae Eukaryota TCM_Taiwan*
NPO9865 Cichorium intybus Species Asteraceae Eukaryota TM-MC*
NPO19620 Stemona tuberosa Species Stemonaceae Eukaryota TCM_Taiwan*
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota TM-MC*
NPO23017 Urtica dioica Species Urticaceae Eukaryota TCM_Taiwan*
NPO4554 Isatis tinctoria Species Brassicaceae Eukaryota TM-MC*
NPO28125 Ephedra equisetina Species Ephedraceae Eukaryota TCM_Taiwan*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TM-MC*
NPO30744 Equisetum hiemale Species Equisetaceae Eukaryota TCM_Taiwan*
NPO9069 Persicaria tinctoria Species Polygonaceae Eukaryota TM-MC*
NPO4011 Chlamydomonas reinhardtii Species Chlamydomonadaceae Eukaryota PMID[25515814]
NPO28679 Prunus mume Species Rosaceae Eukaryota TM-MC*
NPO8832 Rheum rhaponticum Species Polygonaceae Eukaryota TCM_Taiwan*
NPO21349 Punica granatum Species Lythraceae Eukaryota TM-MC*
NPO20406 Croton campestris Species Euphorbiaceae Eukaryota UNPD*
NPO26650 Terminalia chebula Species Combretaceae Eukaryota TM-MC*
NPO16159 Astragalus basineri Species Fabaceae Eukaryota UNPD*
NPO19979 Schisandra glaucescens Species Schisandraceae Eukaryota UNPD*
NPO22397 Equiseti hiemalis herba NA NA NA TCMSP*
NPO1239 Solibacillus silvestris Species Planococcaceae Bacteria UNPD*
NPO29679 Lycii fructus NA NA NA TCMSP*
NPO10369 Kansui radix NA NA NA TCMSP*
NPO29600 Stemonae radix NA NA NA TCMSP*
NPO14196 Cotyledon fimbriata turcz Species Crassulaceae Eukaryota TCMSP*
NPO12208 Allii fistulost bulbus NA NA NA TCMSP*
NPO1228 Radix rhei et rhizome Species Lymnaeidae Eukaryota TCMSP*
NPO8624 Artemisiae scopariae herba NA NA NA TCMSP*
NPO29609 Polygoni cuspidati rhizoma et radix NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT36 Individual Protein Tyrosine-protein kinase SRC Homo sapiens IC50 > 40000000 nM 14613321
NPT622 Individual Protein Solute carrier organic anion transporter family member 2B1 Homo sapiens Activity = 83.9 % 12724351
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 61652.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61130.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6917.5 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 19823.4 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 NPC301950 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
0.7083 Intermediate Similarity NPC165122
0.6296 Remote Similarity NPC316272
0.625 Remote Similarity NPC307812
0.6207 Remote Similarity NPC329270
0.5909 Remote Similarity NPC68873
0.5909 Remote Similarity NPC7922
0.5667 Remote Similarity NPC212144
0.5667 Remote Similarity NPC76217
0.5667 Remote Similarity NPC307739

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC301950 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
1.0 High Similarity NPD7352 Approved
0.6364 Remote Similarity NPD7356 Approved
0.6364 Remote Similarity NPD7357 Approved
0.5909 Remote Similarity NPD7364 Approved
0.5862 Remote Similarity NPD54 Approved
0.5862 Remote Similarity NPD8204 Approved
0.5862 Remote Similarity NPD55 Approved
0.5862 Remote Similarity NPD8206 Approved
0.5862 Remote Similarity NPD8203 Approved
0.5667 Remote Similarity NPD8205 Approved
0.5667 Remote Similarity NPD8202 Approved

Structure

External Identifiers

PubChem CID   18676629;971;3819775
ChEMBL   CHEMBL146755
ZINC  

Physicochemical Properties

Molecular Weight:  90.00
ALogP:  -0.4796
MLogP:  1.24
XLogP:  -0.688
# Rotatable Bonds:  3
Polar Surface Area:  74.6
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  6

Download Data

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Similar NPs/Drugs