7-Hydroxy-8-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one

Details

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Internal ID 74f7cbc8-8d1b-484a-b2af-2d64ce3888f9
Taxonomy Phenylpropanoids and polyketides > Homoisoflavonoids
IUPAC Name 7-hydroxy-8-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
SMILES (Canonical) COC1=CC=C(C=C1)C=C2COC3=C(C2=O)C=CC(=C3OC)O
SMILES (Isomeric) COC1=CC=C(C=C1)C=C2COC3=C(C2=O)C=CC(=C3OC)O
InChI InChI=1S/C18H16O5/c1-21-13-5-3-11(4-6-13)9-12-10-23-17-14(16(12)20)7-8-15(19)18(17)22-2/h3-9,19H,10H2,1-2H3
InChI Key WOXQROZUZURVHX-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H16O5
Molecular Weight 312.30 g/mol
Exact Mass 312.09977361 g/mol
Topological Polar Surface Area (TPSA) 65.00 Ų
XlogP 2.90

Synonyms

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AKOS032962451

2D Structure

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2D Structure of 7-Hydroxy-8-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 98.47% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.09% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 96.87% 91.49%
CHEMBL1929 P47989 Xanthine dehydrogenase 95.03% 96.12%
CHEMBL4208 P20618 Proteasome component C5 93.26% 90.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 91.11% 99.15%
CHEMBL2581 P07339 Cathepsin D 88.93% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.55% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.63% 99.23%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 84.58% 80.78%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.52% 89.00%
CHEMBL3492 P49721 Proteasome Macropain subunit 83.66% 90.24%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 82.83% 96.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.37% 96.09%
CHEMBL1907 P15144 Aminopeptidase N 80.90% 93.31%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 80.28% 82.67%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 80.09% 95.53%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 73299135
LOTUS LTS0079013
wikiData Q105309739