1-Hydroxy-2,10,11-trimethoxynoraporphine

Details

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Internal ID 196d787d-a704-41b6-9ce6-39da029ea615
Taxonomy Alkaloids and derivatives > Aporphines
IUPAC Name 2,10,11-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
SMILES (Canonical) COC1=C(C2=C(CC3C4=C2C(=C(C=C4CCN3)OC)O)C=C1)OC
SMILES (Isomeric) COC1=C(C2=C(CC3C4=C2C(=C(C=C4CCN3)OC)O)C=C1)OC
InChI InChI=1S/C19H21NO4/c1-22-13-5-4-10-8-12-15-11(6-7-20-12)9-14(23-2)18(21)17(15)16(10)19(13)24-3/h4-5,9,12,20-21H,6-8H2,1-3H3
InChI Key HVMMFGYMZZVURQ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H21NO4
Molecular Weight 327.40 g/mol
Exact Mass 327.14705815 g/mol
Topological Polar Surface Area (TPSA) 60.00 Ų
XlogP 2.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1-Hydroxy-2,10,11-trimethoxynoraporphine

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 97.45% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 96.62% 91.49%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.50% 96.09%
CHEMBL3192 Q9BY41 Histone deacetylase 8 93.94% 93.99%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.63% 94.45%
CHEMBL217 P14416 Dopamine D2 receptor 92.55% 95.62%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.48% 97.09%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 90.83% 92.68%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.97% 86.33%
CHEMBL4208 P20618 Proteasome component C5 89.91% 90.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.85% 95.89%
CHEMBL3438 Q05513 Protein kinase C zeta 88.22% 88.48%
CHEMBL213 P08588 Beta-1 adrenergic receptor 86.71% 95.56%
CHEMBL241 Q14432 Phosphodiesterase 3A 86.45% 92.94%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.00% 99.17%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.33% 94.00%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 84.89% 89.62%
CHEMBL2535 P11166 Glucose transporter 84.46% 98.75%
CHEMBL2056 P21728 Dopamine D1 receptor 84.07% 91.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 82.54% 92.62%
CHEMBL2581 P07339 Cathepsin D 82.44% 98.95%

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.
Annona muricata
Annona squamosa
Chelidonium majus
Corydalis stricta
Glaucium fimbrilligerum
Laureliopsis philippiana

Cross-Links

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PubChem 78172954
LOTUS LTS0149244
wikiData Q105034355