Natural Product: NPC307812

Natural Product ID:  NPC307812
Common Name:   Glyoxylate
IUPAC Name:   oxaldehydic acid
Synonyms:   2-Oxoacetate
Molecular Formula:   C2H2O3
Standard InCHIKey:  HHLFWLYXYJOTON-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)
Canonical SMILES:  O=CC(=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
NPO16864 Stewartia monadelpha Species Theaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[24023812]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[9448064]
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid PMID[2253377]
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]
NPO16702 Baccharis conferta Species Asteraceae Eukaryota UNPD*
NPO29560 Carthami flos NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT4435 Individual Protein Dihydrodipicolinate synthase Escherichia coli K-12 Ki = 16000 nM 18977662

  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 NPC307812 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
0.76 Intermediate Similarity NPC165122
0.6786 Remote Similarity NPC316272
0.6667 Remote Similarity NPC114586
0.6522 Remote Similarity NPC68873
0.6522 Remote Similarity NPC7922
0.625 Remote Similarity NPC301950
0.6129 Remote Similarity NPC329270
0.6129 Remote Similarity NPC76217
0.6129 Remote Similarity NPC307739
0.6071 Remote Similarity NPC286233
0.5833 Remote Similarity NPC283245
0.5833 Remote Similarity NPC137050
0.5769 Remote Similarity NPC181153
0.5714 Remote Similarity NPC82694
0.5652 Remote Similarity NPC146289
0.5625 Remote Similarity NPC261351
0.56 Remote Similarity NPC237869
0.56 Remote Similarity NPC173862

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC307812 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
0.7727 Intermediate Similarity NPD7357 Approved
0.7727 Intermediate Similarity NPD7356 Approved
0.6522 Remote Similarity NPD7364 Approved
0.6333 Remote Similarity NPD8206 Approved
0.6333 Remote Similarity NPD54 Approved
0.6333 Remote Similarity NPD8204 Approved
0.6333 Remote Similarity NPD55 Approved
0.6333 Remote Similarity NPD8203 Approved
0.625 Remote Similarity NPD7352 Approved
0.6129 Remote Similarity NPD8205 Approved
0.6129 Remote Similarity NPD8202 Approved
0.6071 Remote Similarity NPD8189 Approved
0.5909 Remote Similarity NPD49 Approved
0.5909 Remote Similarity NPD7363 Approved
0.5909 Remote Similarity NPD7365 Approved
0.5909 Remote Similarity NPD47 Approved
0.5909 Remote Similarity NPD50 Approved
0.5909 Remote Similarity NPD105 Approved
0.5909 Remote Similarity NPD7362 Approved
0.5909 Remote Similarity NPD48 Approved
0.5769 Remote Similarity NPD8201 Phase 2
0.5769 Remote Similarity NPD8190 Phase 2
0.5714 Remote Similarity NPD8207 Approved

Structure

External Identifiers

PubChem CID   760
ChEMBL   CHEMBL1162545
ZINC  

Physicochemical Properties

Molecular Weight:  74.00
ALogP:  0.1283
MLogP:  1.35
XLogP:  -0.607
# Rotatable Bonds:  2
Polar Surface Area:  54.37
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  5

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Similar NPs/Drugs