Oxane-3,4,5-triol

Details

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Internal ID 6c67f524-afa3-44a8-baf9-dbc48b10d0e8
Taxonomy Organoheterocyclic compounds > Oxanes
IUPAC Name oxane-3,4,5-triol
SMILES (Canonical) C1C(C(C(CO1)O)O)O
SMILES (Isomeric) C1C(C(C(CO1)O)O)O
InChI InChI=1S/C5H10O4/c6-3-1-9-2-4(7)5(3)8/h3-8H,1-2H2
InChI Key QXAMTEJJAZOINB-UHFFFAOYSA-N
Popularity 5 references in papers

Physical and Chemical Properties

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Molecular Formula C5H10O4
Molecular Weight 134.13 g/mol
Exact Mass 134.05790880 g/mol
Topological Polar Surface Area (TPSA) 69.90 Ų
XlogP -2.00

Synonyms

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SCHEMBL30975
SCHEMBL13773300
SCHEMBL20234345

2D Structure

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2D Structure of Oxane-3,4,5-triol

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
CHEMBL4040 P28482 MAP kinase ERK2 88.01% 83.82%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.89% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.25% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.81% 97.09%

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.
Olea europaea

Cross-Links

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PubChem 14057261
LOTUS LTS0063658
wikiData Q105229492