4-[5-(4-Hydroxyphenoxy)pent-3-en-1-ynyl]-2-methoxyphenol

Details

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Internal ID 61ce364c-e1c9-408d-bb95-5b46077d692f
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name 4-[5-(4-hydroxyphenoxy)pent-3-en-1-ynyl]-2-methoxyphenol
SMILES (Canonical) COC1=C(C=CC(=C1)C#CC=CCOC2=CC=C(C=C2)O)O
SMILES (Isomeric) COC1=C(C=CC(=C1)C#CC=CCOC2=CC=C(C=C2)O)O
InChI InChI=1S/C18H16O4/c1-21-18-13-14(6-11-17(18)20)5-3-2-4-12-22-16-9-7-15(19)8-10-16/h2,4,6-11,13,19-20H,12H2,1H3
InChI Key CFTKDOICDIITEC-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H16O4
Molecular Weight 296.30 g/mol
Exact Mass 296.10485899 g/mol
Topological Polar Surface Area (TPSA) 58.90 Ų
XlogP 3.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-[5-(4-Hydroxyphenoxy)pent-3-en-1-ynyl]-2-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 98.50% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 96.04% 99.17%
CHEMBL4208 P20618 Proteasome component C5 94.50% 90.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.01% 96.09%
CHEMBL242 Q92731 Estrogen receptor beta 93.55% 98.35%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 93.42% 99.15%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.39% 86.33%
CHEMBL2487 P05067 Beta amyloid A4 protein 92.14% 96.74%
CHEMBL2535 P11166 Glucose transporter 90.53% 98.75%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 88.56% 89.62%
CHEMBL2243 O00519 Anandamide amidohydrolase 88.52% 97.53%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.21% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.47% 95.56%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.25% 96.00%
CHEMBL240 Q12809 HERG 82.55% 89.76%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 82.00% 91.79%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.70% 95.89%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 81.31% 91.07%
CHEMBL3401 O75469 Pregnane X receptor 81.05% 94.73%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 80.94% 93.10%
CHEMBL1907 P15144 Aminopeptidase N 80.60% 93.31%

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.
Asparagus cochinchinensis

Cross-Links

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PubChem 73080615
LOTUS LTS0199755
wikiData Q104956957