2-But-3-enoxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol

Details

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Internal ID 9c774733-822a-4692-8ccd-f4c386741d87
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides
IUPAC Name 2-but-3-enoxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
SMILES (Canonical) C=CCCOC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O
SMILES (Isomeric) C=CCCOC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O
InChI InChI=1S/C15H26O10/c1-2-3-4-22-15-13(21)11(19)10(18)8(25-15)6-24-14-12(20)9(17)7(16)5-23-14/h2,7-21H,1,3-6H2
InChI Key BNFPVVDVDBOSCD-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H26O10
Molecular Weight 366.36 g/mol
Exact Mass 366.15259702 g/mol
Topological Polar Surface Area (TPSA) 158.00 Ų
XlogP -3.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-But-3-enoxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.05% 91.11%
CHEMBL253 P34972 Cannabinoid CB2 receptor 89.55% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.52% 96.09%
CHEMBL226 P30542 Adenosine A1 receptor 89.43% 95.93%
CHEMBL5957 P21589 5'-nucleotidase 87.68% 97.78%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.24% 97.09%
CHEMBL1951 P21397 Monoamine oxidase A 83.91% 91.49%
CHEMBL1075162 Q13304 Uracil nucleotide/cysteinyl leukotriene receptor 83.59% 80.33%
CHEMBL3401 O75469 Pregnane X receptor 82.92% 94.73%

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.
Swertia japonica

Cross-Links

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PubChem 85421266
LOTUS LTS0061871
wikiData Q104938774