Milletenin C

Details

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Internal ID 7111c2bb-9b86-4bb3-a388-de48e54e0d5b
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name 2-(1,3-benzodioxol-5-yl)-6,7-dimethoxychromen-4-one
SMILES (Canonical) COC1=C(C=C2C(=C1)C(=O)C=C(O2)C3=CC4=C(C=C3)OCO4)OC
SMILES (Isomeric) COC1=C(C=C2C(=C1)C(=O)C=C(O2)C3=CC4=C(C=C3)OCO4)OC
InChI InChI=1S/C18H14O6/c1-20-16-6-11-12(19)7-14(24-15(11)8-17(16)21-2)10-3-4-13-18(5-10)23-9-22-13/h3-8H,9H2,1-2H3
InChI Key HCZZPIBXVSKNNL-UHFFFAOYSA-N
Popularity 0 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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6,7-Dimethoxy-3',4'-methylenedioxyflavone
CHEBI:196321
LMPK12110067
2-(1,3-benzodioxol-5-yl)-6,7-dimethoxychromen-4-one

2D Structure

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2D Structure of Milletenin C

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 98.37% 96.77%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.15% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.82% 85.14%
CHEMBL2581 P07339 Cathepsin D 94.91% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.78% 94.45%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 94.39% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 93.18% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.71% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.55% 86.33%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 90.54% 85.30%
CHEMBL4225 P49760 Dual specificity protein kinase CLK2 87.86% 80.96%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 85.04% 92.62%
CHEMBL1907 P15144 Aminopeptidase N 84.45% 93.31%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 84.23% 82.67%
CHEMBL2717 Q9HCR9 Phosphodiesterase 11A 83.30% 85.00%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 82.45% 94.80%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 81.72% 97.14%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.18% 96.00%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 81.09% 94.03%
CHEMBL2535 P11166 Glucose transporter 81.08% 98.75%
CHEMBL5925 P22413 Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 80.82% 92.38%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 80.80% 95.53%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.66% 90.71%
CHEMBL3192 Q9BY41 Histone deacetylase 8 80.31% 93.99%

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.
Millettia erythrocalyx

Cross-Links

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PubChem 14483216
LOTUS LTS0141547
wikiData Q105026220