5-[1-(4-Hydroxyphenyl)penta-1,4-dien-3-yl]-2-methoxyphenol

Details

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Internal ID ab81c30d-51ab-4968-996e-9c28230f9cf5
Taxonomy Lignans, neolignans and related compounds
IUPAC Name 5-[1-(4-hydroxyphenyl)penta-1,4-dien-3-yl]-2-methoxyphenol
SMILES (Canonical) COC1=C(C=C(C=C1)C(C=C)C=CC2=CC=C(C=C2)O)O
SMILES (Isomeric) COC1=C(C=C(C=C1)C(C=C)C=CC2=CC=C(C=C2)O)O
InChI InChI=1S/C18H18O3/c1-3-14(7-4-13-5-9-16(19)10-6-13)15-8-11-18(21-2)17(20)12-15/h3-12,14,19-20H,1H2,2H3
InChI Key QGQNWQZNFRNVLW-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H18O3
Molecular Weight 282.30 g/mol
Exact Mass 282.125594432 g/mol
Topological Polar Surface Area (TPSA) 49.70 Ų
XlogP 4.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-[1-(4-Hydroxyphenyl)penta-1,4-dien-3-yl]-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
CHEMBL1951 P21397 Monoamine oxidase A 95.07% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.90% 91.11%
CHEMBL3194 P02766 Transthyretin 94.08% 90.71%
CHEMBL242 Q92731 Estrogen receptor beta 92.62% 98.35%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.11% 96.09%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 92.06% 96.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.98% 86.33%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 91.72% 89.62%
CHEMBL1255126 O15151 Protein Mdm4 91.21% 90.20%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.93% 99.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.29% 95.56%
CHEMBL2535 P11166 Glucose transporter 89.28% 98.75%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.77% 94.45%
CHEMBL3192 Q9BY41 Histone deacetylase 8 86.98% 93.99%
CHEMBL4208 P20618 Proteasome component C5 86.19% 90.00%
CHEMBL2581 P07339 Cathepsin D 85.25% 98.95%

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 72796735
LOTUS LTS0072725
wikiData Q105220562