2-[7-(4-Hydroxyphenyl)hepta-1,4-dien-3-yl]-4-methoxyphenol

Details

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Internal ID 81a81d84-7b49-4272-8a9f-23f9c1cb492f
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name 2-[7-(4-hydroxyphenyl)hepta-1,4-dien-3-yl]-4-methoxyphenol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H22O3/c1-3-16(19-14-18(23-2)12-13-20(19)22)7-5-4-6-15-8-10-17(21)11-9-15/h3,5,7-14,16,21-22H,1,4,6H2,2H3
InChI Key RFSYFVICCUAVCJ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H22O3
Molecular Weight 310.40 g/mol
Exact Mass 310.15689456 g/mol
Topological Polar Surface Area (TPSA) 49.70 Ų
XlogP 4.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-[7-(4-Hydroxyphenyl)hepta-1,4-dien-3-yl]-4-methoxyphenol

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 99.06% 91.11%
CHEMBL2581 P07339 Cathepsin D 95.28% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 95.09% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.45% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.01% 94.45%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 90.62% 99.15%
CHEMBL4208 P20618 Proteasome component C5 89.24% 90.00%
CHEMBL2535 P11166 Glucose transporter 87.83% 98.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.71% 86.33%
CHEMBL3820 P35557 Hexokinase type IV 86.50% 91.96%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 86.42% 95.50%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.86% 95.56%
CHEMBL242 Q92731 Estrogen receptor beta 83.40% 98.35%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 82.29% 95.89%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.87% 95.89%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.59% 94.00%

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.
Cymodocea nodosa

Cross-Links

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PubChem 74323267
LOTUS LTS0123237
wikiData Q105235616