2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-5-ol

Details

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Internal ID 16b2e1c1-21bb-4908-867a-84f2cfdd5422
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name 2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-5-ol
SMILES (Canonical) COC1=CC(=C2CCC(OC2=C1)C3=CC(=C(C=C3)O)OC)O
SMILES (Isomeric) COC1=CC(=C2CCC(OC2=C1)C3=CC(=C(C=C3)O)OC)O
InChI InChI=1S/C17H18O5/c1-20-11-8-14(19)12-4-6-15(22-16(12)9-11)10-3-5-13(18)17(7-10)21-2/h3,5,7-9,15,18-19H,4,6H2,1-2H3
InChI Key OWEIRLDNVDXQHR-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H18O5
Molecular Weight 302.32 g/mol
Exact Mass 302.11542367 g/mol
Topological Polar Surface Area (TPSA) 68.20 Ų
XlogP 3.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-5-ol

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 99.09% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.68% 96.09%
CHEMBL3438 Q05513 Protein kinase C zeta 94.16% 88.48%
CHEMBL3137262 O60341 LSD1/CoREST complex 93.90% 97.09%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 92.44% 99.15%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.81% 95.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.90% 95.89%
CHEMBL241 Q14432 Phosphodiesterase 3A 89.44% 92.94%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.02% 99.17%
CHEMBL4208 P20618 Proteasome component C5 87.36% 90.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.02% 85.14%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.18% 94.00%
CHEMBL2535 P11166 Glucose transporter 84.85% 98.75%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 84.67% 92.62%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.44% 94.45%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 84.21% 82.67%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 83.75% 95.78%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 83.69% 95.89%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 82.66% 91.79%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 82.43% 93.40%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.40% 86.33%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 81.14% 97.14%
CHEMBL1287628 Q9Y5S8 NADPH oxidase 1 80.56% 95.48%
CHEMBL5203 P33316 dUTP pyrophosphatase 80.01% 99.18%

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.
Cyperus pluribracteatus

Cross-Links

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PubChem 10851881
LOTUS LTS0234482
wikiData Q105201953