2-Methoxy-4-[7-(4-methoxyphenyl)-1,2,3,5,8,8a-hexahydroindolizin-6-yl]phenol

Details

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Internal ID 3f251031-fe42-467e-9ef2-d26d9ab2e688
Taxonomy Phenylpropanoids and polyketides > Stilbenes
IUPAC Name 2-methoxy-4-[7-(4-methoxyphenyl)-1,2,3,5,8,8a-hexahydroindolizin-6-yl]phenol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C22H25NO3/c1-25-18-8-5-15(6-9-18)19-13-17-4-3-11-23(17)14-20(19)16-7-10-21(24)22(12-16)26-2/h5-10,12,17,24H,3-4,11,13-14H2,1-2H3
InChI Key WBQXVTMAGFQBIT-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C22H25NO3
Molecular Weight 351.40 g/mol
Exact Mass 351.18344366 g/mol
Topological Polar Surface Area (TPSA) 41.90 Ų
XlogP 3.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-Methoxy-4-[7-(4-methoxyphenyl)-1,2,3,5,8,8a-hexahydroindolizin-6-yl]phenol

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
CHEMBL3438 Q05513 Protein kinase C zeta 98.73% 88.48%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.72% 96.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 94.89% 95.89%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 94.80% 99.15%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.45% 91.11%
CHEMBL5203 P33316 dUTP pyrophosphatase 93.45% 99.18%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.16% 95.56%
CHEMBL241 Q14432 Phosphodiesterase 3A 92.97% 92.94%
CHEMBL2581 P07339 Cathepsin D 92.35% 98.95%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 91.60% 91.03%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 91.59% 91.79%
CHEMBL4208 P20618 Proteasome component C5 91.55% 90.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.14% 94.00%
CHEMBL5747 Q92793 CREB-binding protein 90.84% 95.12%
CHEMBL240 Q12809 HERG 90.71% 89.76%
CHEMBL3192 Q9BY41 Histone deacetylase 8 90.13% 93.99%
CHEMBL2243 O00519 Anandamide amidohydrolase 90.03% 97.53%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.49% 86.33%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.85% 97.09%
CHEMBL1907 P15144 Aminopeptidase N 87.13% 93.31%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 85.68% 86.92%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.96% 94.45%
CHEMBL4895 P30530 Tyrosine-protein kinase receptor UFO 82.48% 90.95%
CHEMBL1907599 P05556 Integrin alpha-4/beta-1 81.43% 92.86%
CHEMBL4355 O14976 Serine/threonine-protein kinase GAK 81.30% 89.32%
CHEMBL264 Q9Y5N1 Histamine H3 receptor 81.19% 91.43%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 80.92% 97.14%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 80.47% 95.78%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.11% 99.17%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 59452488
LOTUS LTS0132851
wikiData Q105300973