11-methoxy-2-methyl-3,4-dihydro-1H-naphtho[2,1-f]isoquinolin-12-ol

Details

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Internal ID 877be788-559a-4287-8ea8-b80b73b4e212
Taxonomy Benzenoids > Phenanthrenes and derivatives > Phenanthrols
IUPAC Name 11-methoxy-2-methyl-3,4-dihydro-1H-naphtho[2,1-f]isoquinolin-12-ol
SMILES (Canonical) CN1CCC2=C3C=CC4=CC=CC=C4C3=C(C(=C2C1)O)OC
SMILES (Isomeric) CN1CCC2=C3C=CC4=CC=CC=C4C3=C(C(=C2C1)O)OC
InChI InChI=1S/C19H19NO2/c1-20-10-9-14-15-8-7-12-5-3-4-6-13(12)17(15)19(22-2)18(21)16(14)11-20/h3-8,21H,9-11H2,1-2H3
InChI Key CBZPNEPYJIGFQZ-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C19H19NO2
Molecular Weight 293.40 g/mol
Exact Mass 293.141578849 g/mol
Topological Polar Surface Area (TPSA) 32.70 Ų
XlogP 3.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 11-methoxy-2-methyl-3,4-dihydro-1H-naphtho[2,1-f]isoquinolin-12-ol

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 98.71% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.54% 96.09%
CHEMBL3192 Q9BY41 Histone deacetylase 8 94.94% 93.99%
CHEMBL2056 P21728 Dopamine D1 receptor 93.97% 91.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.32% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.12% 94.00%
CHEMBL2535 P11166 Glucose transporter 88.87% 98.75%
CHEMBL2581 P07339 Cathepsin D 87.92% 98.95%
CHEMBL240 Q12809 HERG 87.91% 89.76%
CHEMBL1951 P21397 Monoamine oxidase A 87.66% 91.49%
CHEMBL4208 P20618 Proteasome component C5 86.32% 90.00%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 85.50% 93.65%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 83.57% 95.83%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 82.07% 96.67%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.95% 99.23%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.89% 86.33%

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 montana

Cross-Links

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PubChem 10447107
LOTUS LTS0149737
wikiData Q104953007