4-Phenanthrenol, 1-(2-(dimethylamino)ethyl)-3,5,6-trimethoxy-

Details

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Internal ID af979ef4-9453-4961-99df-09228cfe7ca3
Taxonomy Alkaloids and derivatives > 6,6a-secoaporphines
IUPAC Name 1-[2-(dimethylamino)ethyl]-3,5,6-trimethoxyphenanthren-4-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C21H25NO4/c1-22(2)11-10-14-12-17(25-4)20(23)19-15(14)8-6-13-7-9-16(24-3)21(26-5)18(13)19/h6-9,12,23H,10-11H2,1-5H3
InChI Key PCELJKHBOHMUAX-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C21H25NO4
Molecular Weight 355.40 g/mol
Exact Mass 355.17835828 g/mol
Topological Polar Surface Area (TPSA) 51.20 Ų
XlogP 4.30

Synonyms

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101959-19-7
Corydinemethine
Corydine methine
1-(2-dimethylaminoethyl)-3,5,6-trimethoxyphenanthren-4-ol
DTXSID60144434

2D Structure

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2D Structure of 4-Phenanthrenol, 1-(2-(dimethylamino)ethyl)-3,5,6-trimethoxy-

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 98.31% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.30% 96.09%
CHEMBL1255126 O15151 Protein Mdm4 96.19% 90.20%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 95.51% 83.57%
CHEMBL240 Q12809 HERG 94.54% 89.76%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 92.63% 92.68%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.31% 86.33%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 91.22% 89.62%
CHEMBL2581 P07339 Cathepsin D 89.51% 98.95%
CHEMBL2535 P11166 Glucose transporter 88.97% 98.75%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.89% 94.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.48% 96.00%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 86.18% 96.67%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.02% 99.17%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 85.31% 92.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.25% 95.56%
CHEMBL3192 Q9BY41 Histone deacetylase 8 82.86% 93.99%
CHEMBL2885 P07451 Carbonic anhydrase III 82.27% 87.45%
CHEMBL1937 Q92769 Histone deacetylase 2 81.18% 94.75%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.73% 89.00%
CHEMBL235 P37231 Peroxisome proliferator-activated receptor gamma 80.39% 95.39%
CHEMBL290 Q13370 Phosphodiesterase 3B 80.11% 94.00%

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.
Berberis cretica

Cross-Links

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PubChem 179804
LOTUS LTS0096921
wikiData Q83008660