Euchrenone a9

Details

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Internal ID 20e355ec-1805-49ef-98fc-bd705a247707
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavans > 6-prenylated flavans > 6-prenylated flavanones
IUPAC Name 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one
SMILES (Canonical) CC(=CCC1=C(C2=C(C3=C1OC(C=C3)(C)C)OC(CC2=O)C4=C(C=C(C=C4)O)O)O)C
SMILES (Isomeric) CC(=CCC1=C(C2=C(C3=C1OC(C=C3)(C)C)OC(CC2=O)C4=C(C=C(C=C4)O)O)O)C
InChI InChI=1S/C25H26O6/c1-13(2)5-7-16-22(29)21-19(28)12-20(15-8-6-14(26)11-18(15)27)30-24(21)17-9-10-25(3,4)31-23(16)17/h5-6,8-11,20,26-27,29H,7,12H2,1-4H3
InChI Key WUVGXZKCQBMDDK-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C25H26O6
Molecular Weight 422.50 g/mol
Exact Mass 422.17293854 g/mol
Topological Polar Surface Area (TPSA) 96.20 Ų
XlogP 5.20

Synonyms

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LMPK12140517

2D Structure

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2D Structure of Euchrenone a9

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 99.68% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 98.50% 94.45%
CHEMBL2581 P07339 Cathepsin D 97.54% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.11% 96.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.13% 89.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.02% 85.14%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.04% 86.33%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.39% 95.89%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 87.93% 90.71%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.89% 95.56%
CHEMBL2964 P36507 Dual specificity mitogen-activated protein kinase kinase 2 87.33% 80.00%
CHEMBL1929 P47989 Xanthine dehydrogenase 87.06% 96.12%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.82% 99.17%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.80% 99.23%
CHEMBL340 P08684 Cytochrome P450 3A4 84.57% 91.19%
CHEMBL3401 O75469 Pregnane X receptor 84.55% 94.73%
CHEMBL236 P41143 Delta opioid receptor 84.35% 99.35%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 84.24% 91.07%
CHEMBL4208 P20618 Proteasome component C5 84.14% 90.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 83.10% 99.15%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 82.93% 85.00%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.59% 100.00%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 81.81% 83.10%
CHEMBL1951 P21397 Monoamine oxidase A 81.68% 91.49%
CHEMBL2535 P11166 Glucose transporter 81.15% 98.75%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.71% 97.09%
CHEMBL240 Q12809 HERG 80.38% 89.76%

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.
Eriosema chinense
Eriosema tuberosum
Euchresta horsfieldii

Cross-Links

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PubChem 14704583
LOTUS LTS0177929
wikiData Q105313338