Fujikinetin methyl ether

Details

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Internal ID ade682f5-7cc3-4a80-b76c-b8acc8acc1ea
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 7-O-methylated isoflavonoids > 7-O-methylisoflavones
IUPAC Name 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxychromen-4-one
SMILES (Canonical) COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4)OC
SMILES (Isomeric) COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4)OC
InChI InChI=1S/C18H14O6/c1-20-15-6-11-14(7-16(15)21-2)22-8-12(18(11)19)10-3-4-13-17(5-10)24-9-23-13/h3-8H,9H2,1-2H3
InChI Key ABOSSEFROBUJKH-UHFFFAOYSA-N
Popularity 5 references in papers

Physical and Chemical Properties

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Molecular Formula C18H14O6
Molecular Weight 326.30 g/mol
Exact Mass 326.07903816 g/mol
Topological Polar Surface Area (TPSA) 63.20 Ų
XlogP 2.90

Synonyms

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CHEMBL1224369
CHEBI:196326
LMPK12050114
6,7-dimethoxy-3',4'-methylenedioxyisoflavone
3-(1,3-benzodioxol-5-yl)-6,7-dimethoxychromen-4-one

2D Structure

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2D Structure of Fujikinetin methyl ether

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
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 98.42% 96.77%
CHEMBL2581 P07339 Cathepsin D 97.19% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.57% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 92.75% 89.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.07% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.97% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.96% 86.33%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 88.63% 82.67%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 88.33% 94.80%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 87.70% 92.62%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.05% 96.00%
CHEMBL4225 P49760 Dual specificity protein kinase CLK2 86.88% 80.96%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.88% 85.14%
CHEMBL5925 P22413 Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 86.70% 92.38%
CHEMBL2717 Q9HCR9 Phosphodiesterase 11A 85.83% 85.00%
CHEMBL1937 Q92769 Histone deacetylase 2 85.42% 94.75%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 85.28% 95.78%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 85.00% 95.53%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 82.63% 97.14%
CHEMBL2535 P11166 Glucose transporter 82.48% 98.75%
CHEMBL4895 P30530 Tyrosine-protein kinase receptor UFO 81.62% 90.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.45% 94.45%
CHEMBL3438 Q05513 Protein kinase C zeta 80.64% 88.48%

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.
Ateleia herbert-smithii
Cordyla africana
Millettia puguensis

Cross-Links

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PubChem 15984086
LOTUS LTS0210569
wikiData Q104908737