Norpreocoteine

Details

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Internal ID 30564afa-574d-4b2d-88d9-5c740daf04f3
Taxonomy Alkaloids and derivatives > Aporphines
IUPAC Name (6aS)-2,3,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
SMILES (Canonical) COC1=C(C=C2C(=C1)CC3C4=C(CCN3)C(=C(C(=C24)O)OC)OC)OC
SMILES (Isomeric) COC1=C(C=C2C(=C1)C[C@H]3C4=C(CCN3)C(=C(C(=C24)O)OC)OC)OC
InChI InChI=1S/C20H23NO5/c1-23-14-8-10-7-13-16-11(5-6-21-13)19(25-3)20(26-4)18(22)17(16)12(10)9-15(14)24-2/h8-9,13,21-22H,5-7H2,1-4H3/t13-/m0/s1
InChI Key QIWWOPQLJARYLV-ZDUSSCGKSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H23NO5
Molecular Weight 357.40 g/mol
Exact Mass 357.15762283 g/mol
Topological Polar Surface Area (TPSA) 69.20 Ų
XlogP 2.50

Synonyms

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Norpreocoteine
N-Demethylpreocoteine
DTXSID101008804
2,3,9,10-Tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol

2D Structure

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2D Structure of Norpreocoteine

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 96.81% 91.11%
CHEMBL241 Q14432 Phosphodiesterase 3A 95.82% 92.94%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.45% 96.09%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 94.63% 91.79%
CHEMBL1951 P21397 Monoamine oxidase A 94.12% 91.49%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.00% 86.33%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 90.90% 92.68%
CHEMBL3192 Q9BY41 Histone deacetylase 8 90.83% 93.99%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.71% 97.09%
CHEMBL4208 P20618 Proteasome component C5 89.60% 90.00%
CHEMBL217 P14416 Dopamine D2 receptor 89.41% 95.62%
CHEMBL1913 P09619 Platelet-derived growth factor receptor beta 88.51% 95.70%
CHEMBL2056 P21728 Dopamine D1 receptor 88.48% 91.00%
CHEMBL213 P08588 Beta-1 adrenergic receptor 88.14% 95.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 87.91% 95.89%
CHEMBL2581 P07339 Cathepsin D 87.85% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.77% 99.17%
CHEMBL2535 P11166 Glucose transporter 86.71% 98.75%
CHEMBL3438 Q05513 Protein kinase C zeta 86.17% 88.48%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 84.65% 96.21%
CHEMBL4355 O14976 Serine/threonine-protein kinase GAK 84.53% 89.32%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 82.95% 95.64%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.41% 89.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.16% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.86% 95.56%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 81.12% 98.11%

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.
Ocotea mollicella

Cross-Links

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PubChem 177208
LOTUS LTS0055307
wikiData Q83005397