6-[2-(3,5-Dimethoxy-4-prop-2-enoxyphenyl)propyl]-4-methoxy-1,3-benzodioxole

Details

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Internal ID 2a7b7e36-2f04-454a-9680-9c2097871f36
Taxonomy Phenylpropanoids and polyketides > Stilbenes
IUPAC Name 6-[2-(3,5-dimethoxy-4-prop-2-enoxyphenyl)propyl]-4-methoxy-1,3-benzodioxole
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C22H26O6/c1-6-7-26-21-18(24-4)11-16(12-19(21)25-5)14(2)8-15-9-17(23-3)22-20(10-15)27-13-28-22/h6,9-12,14H,1,7-8,13H2,2-5H3
InChI Key PSHTYLFDZHEUIM-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C22H26O6
Molecular Weight 386.40 g/mol
Exact Mass 386.17293854 g/mol
Topological Polar Surface Area (TPSA) 55.40 Ų
XlogP 4.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6-[2-(3,5-Dimethoxy-4-prop-2-enoxyphenyl)propyl]-4-methoxy-1,3-benzodioxole

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
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 96.92% 94.45%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 95.72% 96.77%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.95% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.34% 91.11%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 93.63% 95.17%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.25% 99.17%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 92.57% 92.62%
CHEMBL4208 P20618 Proteasome component C5 90.00% 90.00%
CHEMBL5203 P33316 dUTP pyrophosphatase 89.74% 99.18%
CHEMBL2581 P07339 Cathepsin D 89.47% 98.95%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 87.50% 89.62%
CHEMBL3401 O75469 Pregnane X receptor 87.34% 94.73%
CHEMBL2413 P32246 C-C chemokine receptor type 1 87.33% 89.50%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.46% 96.00%
CHEMBL1255126 O15151 Protein Mdm4 85.38% 90.20%
CHEMBL2716 Q8WUI4 Histone deacetylase 7 83.99% 89.44%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 83.91% 83.57%
CHEMBL5747 Q92793 CREB-binding protein 83.27% 95.12%
CHEMBL235 P37231 Peroxisome proliferator-activated receptor gamma 83.09% 95.39%
CHEMBL3492 P49721 Proteasome Macropain subunit 82.40% 90.24%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.27% 95.89%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.77% 89.00%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 81.49% 82.67%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.31% 95.56%

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.
Licaria aurea

Cross-Links

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PubChem 15126370
LOTUS LTS0182748
wikiData Q105214187