Vellokaempferol 3,4'-dimethyl ether

Details

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Internal ID 802c1924-0247-4a32-b1b5-50471c801159
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavones > 6-prenylated flavones
IUPAC Name 4-hydroxy-6-methoxy-7-(4-methoxyphenyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C22H20O6/c1-11(2)15-9-14-16(27-15)10-17-18(19(14)23)20(24)22(26-4)21(28-17)12-5-7-13(25-3)8-6-12/h5-8,10,15,23H,1,9H2,2-4H3
InChI Key VXTJIBRFWJWOHR-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C22H20O6
Molecular Weight 380.40 g/mol
Exact Mass 380.12598835 g/mol
Topological Polar Surface Area (TPSA) 74.20 Ų
XlogP 4.80

Synonyms

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4-hydroxy-6-methoxy-7-(4-methoxyphenyl)-2-prop-1-en-2-yl-2,3-dihydrofuro(3,2-g)chromen-5-one
4-hydroxy-6-methoxy-7-(4-methoxyphenyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
RefChem:193901
LMPK12112694

2D Structure

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2D Structure of Vellokaempferol 3,4'-dimethyl 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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.47% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.80% 85.14%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 95.60% 94.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.20% 94.45%
CHEMBL2581 P07339 Cathepsin D 92.84% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 92.42% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.11% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.96% 96.09%
CHEMBL1951 P21397 Monoamine oxidase A 90.97% 91.49%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.49% 86.33%
CHEMBL4225 P49760 Dual specificity protein kinase CLK2 89.00% 80.96%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.75% 99.15%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.21% 95.89%
CHEMBL1907 P15144 Aminopeptidase N 85.20% 93.31%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.81% 99.23%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.71% 99.17%
CHEMBL3401 O75469 Pregnane X receptor 84.63% 94.73%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 84.60% 94.80%
CHEMBL5408 Q9UHD2 Serine/threonine-protein kinase TBK1 82.65% 90.48%
CHEMBL4208 P20618 Proteasome component C5 82.60% 90.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 81.88% 92.62%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.88% 97.09%
CHEMBL340 P08684 Cytochrome P450 3A4 80.75% 91.19%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 80.48% 95.53%

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.
Vellozia stipitata

Cross-Links

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PubChem 44259655
LOTUS LTS0193166
wikiData Q105298758