3-[(4-Hydroxyphenyl)methylidene]-7-methoxychromen-4-one

Details

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Internal ID c63bd64c-cb92-417a-8e17-88db567e5f16
Taxonomy Phenylpropanoids and polyketides > Homoisoflavonoids
IUPAC Name 3-[(4-hydroxyphenyl)methylidene]-7-methoxychromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H14O4/c1-20-14-6-7-15-16(9-14)21-10-12(17(15)19)8-11-2-4-13(18)5-3-11/h2-9,18H,10H2,1H3
InChI Key LZEBZDHKLPFOHO-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C17H14O4
Molecular Weight 282.29 g/mol
Exact Mass 282.08920892 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 3.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 3-[(4-Hydroxyphenyl)methylidene]-7-methoxychromen-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.56% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.31% 95.56%
CHEMBL2581 P07339 Cathepsin D 93.42% 98.95%
CHEMBL4208 P20618 Proteasome component C5 91.95% 90.00%
CHEMBL1951 P21397 Monoamine oxidase A 89.94% 91.49%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.73% 86.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.52% 89.00%
CHEMBL242 Q92731 Estrogen receptor beta 88.87% 98.35%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.81% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.69% 97.09%
CHEMBL1929 P47989 Xanthine dehydrogenase 88.55% 96.12%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 87.78% 95.89%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.36% 95.89%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.83% 99.17%
CHEMBL2039 P27338 Monoamine oxidase B 84.58% 92.51%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.14% 100.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.07% 99.23%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 82.97% 93.40%
CHEMBL226 P30542 Adenosine A1 receptor 81.36% 95.93%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 80.71% 96.77%

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.
Caesalpinia pulcherrima

Cross-Links

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PubChem 72727133
LOTUS LTS0092636
wikiData Q105159812