Moniliformin

Details

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Internal ID f4f52de8-4fea-4924-bd0e-4d5fff0fe29f
Taxonomy Organic acids and derivatives > Vinylogous acids
IUPAC Name 3-hydroxycyclobut-3-ene-1,2-dione
SMILES (Canonical) C1=C(C(=O)C1=O)O
SMILES (Isomeric) C1=C(C(=O)C1=O)O
InChI InChI=1S/C4H2O3/c5-2-1-3(6)4(2)7/h1,5H
InChI Key KGPQKNJSZNXOPV-UHFFFAOYSA-N
Popularity 244 references in papers

Physical and Chemical Properties

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Molecular Formula C4H2O3
Molecular Weight 98.06 g/mol
Exact Mass 98.000393922 g/mol
Topological Polar Surface Area (TPSA) 54.40 Ų
XlogP -0.60

Synonyms

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31876-38-7
3-hydroxycyclobut-3-ene-1,2-dione
3-Cyclobutene-1,2-dione, 3-hydroxy-
1-Hydroxycyclobut-1-ene-3,4-dione
3-Hydroxy-3-cyclobutene-1,2-dione
1-hydroxycyclobutene-3,4-dione
G5JMQ8SDF8
1345994-72-0
Semisquaric acid
NSC292896
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Moniliformin

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 96.17% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.44% 95.56%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 83.32% 99.15%
CHEMBL2581 P07339 Cathepsin D 82.95% 98.95%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 80.02% 93.40%

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.
Sciadopitys verticillata

Cross-Links

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PubChem 40452
LOTUS LTS0054574
wikiData Q105188994