Orotic acid

Details

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Internal ID 192af211-c815-43f6-b9dc-1f4e94a06e2e
Taxonomy Organoheterocyclic compounds > Diazines > Pyrimidines and pyrimidine derivatives > Pyrimidinecarboxylic acids and derivatives > Pyrimidinecarboxylic acids
IUPAC Name 2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILES (Canonical) C1=C(NC(=O)NC1=O)C(=O)O
SMILES (Isomeric) C1=C(NC(=O)NC1=O)C(=O)O
InChI InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
InChI Key PXQPEWDEAKTCGB-UHFFFAOYSA-N
Popularity 5,559 references in papers

Physical and Chemical Properties

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Molecular Formula C5H4N2O4
Molecular Weight 156.10 g/mol
Exact Mass 156.01710661 g/mol
Topological Polar Surface Area (TPSA) 95.50 Ų
XlogP -1.40

Synonyms

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65-86-1
6-Carboxyuracil
Oropur
Orodin
Orotonin
Orotyl
Orotonsan
Vitamin B13
Whey factor
Oroturic
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Orotic acid

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.19% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.72% 94.45%
CHEMBL4040 P28482 MAP kinase ERK2 87.49% 83.82%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.80% 95.56%
CHEMBL2581 P07339 Cathepsin D 82.70% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.22% 96.09%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 81.94% 93.03%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Arabidopsis thaliana
Lotus corniculatus

Cross-Links

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PubChem 967
LOTUS LTS0134695
wikiData Q425536