Foeniculoside VII

Details

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Internal ID 81d7c477-bafd-4f7c-a738-1373e07c34c7
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides
IUPAC Name 2-(hydroxymethyl)-6-[(6-hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)oxy]oxane-3,4,5-triol
SMILES (Canonical) CC1(C2(CCC(O1)(C(C2)O)C)OC3C(C(C(C(O3)CO)O)O)O)C
SMILES (Isomeric) CC1(C2(CCC(O1)(C(C2)O)C)OC3C(C(C(C(O3)CO)O)O)O)C
InChI InChI=1S/C16H28O8/c1-14(2)16(5-4-15(3,24-14)9(18)6-16)23-13-12(21)11(20)10(19)8(7-17)22-13/h8-13,17-21H,4-7H2,1-3H3
InChI Key IQQCVQGVRVNZLT-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C16H28O8
Molecular Weight 348.39 g/mol
Exact Mass 348.17841785 g/mol
Topological Polar Surface Area (TPSA) 129.00 Ų
XlogP -1.40

Synonyms

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CHEBI:175436
2-(hydroxymethyl)-6-[(6-hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)oxy]oxane-3,4,5-triol

2D Structure

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2D Structure of Foeniculoside VII

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.33% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.10% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.42% 97.09%
CHEMBL218 P21554 Cannabinoid CB1 receptor 88.59% 96.61%
CHEMBL253 P34972 Cannabinoid CB2 receptor 85.77% 97.25%
CHEMBL1937 Q92769 Histone deacetylase 2 85.61% 94.75%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 85.00% 95.50%
CHEMBL226 P30542 Adenosine A1 receptor 82.92% 95.93%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 82.86% 86.92%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.62% 100.00%
CHEMBL2996 Q05655 Protein kinase C delta 82.56% 97.79%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 82.25% 96.21%
CHEMBL221 P23219 Cyclooxygenase-1 81.19% 90.17%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.69% 94.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.66% 95.89%
CHEMBL1907602 P06493 Cyclin-dependent kinase 1/cyclin B1 80.65% 91.24%

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.
Foeniculum vulgare

Cross-Links

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PubChem 73657191
LOTUS LTS0091675
wikiData Q105118529