1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-1-methoxy-3-phenylpropane

Details

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Internal ID 7e7ea4ec-25b2-40b5-92ce-a7726a7fea67
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Cinnamylphenols
IUPAC Name 2,3,4,5-tetramethoxy-6-(1-methoxy-3-phenylpropyl)phenol
SMILES (Canonical) COC1=C(C(=C(C(=C1C(CCC2=CC=CC=C2)OC)O)OC)OC)OC
SMILES (Isomeric) COC1=C(C(=C(C(=C1C(CCC2=CC=CC=C2)OC)O)OC)OC)OC
InChI InChI=1S/C20H26O6/c1-22-14(12-11-13-9-7-6-8-10-13)15-16(21)18(24-3)20(26-5)19(25-4)17(15)23-2/h6-10,14,21H,11-12H2,1-5H3
InChI Key GPIKQDSOFNVIMH-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C20H26O6
Molecular Weight 362.40 g/mol
Exact Mass 362.17293854 g/mol
Topological Polar Surface Area (TPSA) 66.40 Ų
XlogP 3.50

Synonyms

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1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-1-methoxy-3-phenylpropane

2D Structure

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2D Structure of 1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-1-methoxy-3-phenylpropane

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
CHEMBL2581 P07339 Cathepsin D 97.32% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.27% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.88% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.03% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.68% 99.17%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 87.83% 94.08%
CHEMBL5939 Q9NZ08 Endoplasmic reticulum aminopeptidase 1 86.31% 100.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 86.12% 95.50%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 85.69% 94.62%
CHEMBL3192 Q9BY41 Histone deacetylase 8 84.99% 93.99%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.38% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 81.30% 94.73%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.07% 94.45%

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.
Lindera erythrocarpa

Cross-Links

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PubChem 87518202
LOTUS LTS0080094
wikiData Q105014849