1-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

Details

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Internal ID 85923238-4efb-4248-9461-1e0b29f24d10
Taxonomy Alkaloids and derivatives > Aporphines
IUPAC Name 1-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILES (Canonical) CN1CCC2=C3C1CC4=CC=CC=C4C3=C(C=C2)OC
SMILES (Isomeric) CN1CCC2=C3C1CC4=CC=CC=C4C3=C(C=C2)OC
InChI InChI=1S/C18H19NO/c1-19-10-9-12-7-8-16(20-2)18-14-6-4-3-5-13(14)11-15(19)17(12)18/h3-8,15H,9-11H2,1-2H3
InChI Key QJNKQDCTABVPGW-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H19NO
Molecular Weight 265.30 g/mol
Exact Mass 265.146664230 g/mol
Topological Polar Surface Area (TPSA) 12.50 Ų
XlogP 3.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.69% 96.09%
CHEMBL2056 P21728 Dopamine D1 receptor 95.76% 91.00%
CHEMBL217 P14416 Dopamine D2 receptor 95.43% 95.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.28% 95.56%
CHEMBL2581 P07339 Cathepsin D 93.10% 98.95%
CHEMBL1951 P21397 Monoamine oxidase A 86.72% 91.49%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.49% 86.33%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 86.00% 89.62%
CHEMBL2535 P11166 Glucose transporter 85.87% 98.75%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.07% 95.89%
CHEMBL4208 P20618 Proteasome component C5 84.11% 90.00%
CHEMBL4895 P30530 Tyrosine-protein kinase receptor UFO 82.76% 90.95%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 82.36% 97.14%
CHEMBL5747 Q92793 CREB-binding protein 81.88% 95.12%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 81.81% 96.67%
CHEMBL264 Q9Y5N1 Histamine H3 receptor 80.99% 91.43%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 80.49% 93.40%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 80.48% 93.65%

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.
Nelumbo nucifera

Cross-Links

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PubChem 20556263
LOTUS LTS0134913
wikiData Q105222771