2-[1-(4-Hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-prop-2-enylphenol

Details

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Internal ID 7ccad202-783b-4752-b5c2-9273d4105c99
Taxonomy Phenylpropanoids and polyketides > Stilbenes
IUPAC Name 2-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-prop-2-enylphenol
SMILES (Canonical) CC(CC1=CC(=C(C=C1)O)OC)C2=C(C(=CC(=C2)CC=C)OC)O
SMILES (Isomeric) CC(CC1=CC(=C(C=C1)O)OC)C2=C(C(=CC(=C2)CC=C)OC)O
InChI InChI=1S/C20H24O4/c1-5-6-14-10-16(20(22)19(12-14)24-4)13(2)9-15-7-8-17(21)18(11-15)23-3/h5,7-8,10-13,21-22H,1,6,9H2,2-4H3
InChI Key YHTNVFLIVNQHLW-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H24O4
Molecular Weight 328.40 g/mol
Exact Mass 328.16745924 g/mol
Topological Polar Surface Area (TPSA) 58.90 Ų
XlogP 4.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-[1-(4-Hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-prop-2-enylphenol

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 98.25% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.33% 96.09%
CHEMBL2581 P07339 Cathepsin D 94.87% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.68% 94.45%
CHEMBL1255126 O15151 Protein Mdm4 91.60% 90.20%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.33% 99.17%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 91.29% 95.17%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 90.64% 98.11%
CHEMBL3492 P49721 Proteasome Macropain subunit 89.05% 90.24%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.65% 95.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 87.28% 95.89%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.03% 86.33%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 86.08% 99.15%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 84.20% 92.62%
CHEMBL3401 O75469 Pregnane X receptor 82.61% 94.73%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 82.34% 89.62%
CHEMBL4208 P20618 Proteasome component C5 81.48% 90.00%

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.
Myristica fragrans

Cross-Links

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PubChem 162848902
LOTUS LTS0046896
wikiData Q105348613