4-(7-Methoxy-3,4-dihydro-2H-chromen-2-yl)phenol

Details

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Internal ID 8c3ea976-2a86-4c29-ace0-92ef2bc4e640
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name 4-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol
SMILES (Canonical) COC1=CC2=C(CCC(O2)C3=CC=C(C=C3)O)C=C1
SMILES (Isomeric) COC1=CC2=C(CCC(O2)C3=CC=C(C=C3)O)C=C1
InChI InChI=1S/C16H16O3/c1-18-14-8-4-12-5-9-15(19-16(12)10-14)11-2-6-13(17)7-3-11/h2-4,6-8,10,15,17H,5,9H2,1H3
InChI Key HQIYVJDLRVEGDX-UHFFFAOYSA-N
Popularity 7 references in papers

Physical and Chemical Properties

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Molecular Formula C16H16O3
Molecular Weight 256.30 g/mol
Exact Mass 256.109944368 g/mol
Topological Polar Surface Area (TPSA) 38.70 Ų
XlogP 3.40

Synonyms

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4-(7-Methoxy-3,4-dihydro-2H-chromen-2-yl)phenol

2D Structure

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2D Structure of 4-(7-Methoxy-3,4-dihydro-2H-chromen-2-yl)phenol

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 98.90% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.10% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 95.47% 97.09%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 93.32% 95.89%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 92.31% 91.79%
CHEMBL3438 Q05513 Protein kinase C zeta 92.16% 88.48%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.91% 95.89%
CHEMBL3192 Q9BY41 Histone deacetylase 8 89.77% 93.99%
CHEMBL4208 P20618 Proteasome component C5 89.74% 90.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.92% 95.56%
CHEMBL241 Q14432 Phosphodiesterase 3A 88.63% 92.94%
CHEMBL3231 Q13464 Rho-associated protein kinase 1 87.47% 95.55%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.34% 99.17%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 86.59% 95.78%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.29% 94.00%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 84.17% 93.40%
CHEMBL4681 P42330 Aldo-keto-reductase family 1 member C3 83.63% 89.05%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.57% 94.45%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 81.06% 92.62%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 80.37% 99.15%

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.
Crinum asiaticum
Genista tricuspidata
Lycoris radiata
Pancratium maritimum
Soymida febrifuga

Cross-Links

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PubChem 11276880
LOTUS LTS0215770
wikiData Q104396008