2,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol

Details

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Internal ID e4e39299-55a8-4bc8-873d-4898ac038abf
Taxonomy Alkaloids and derivatives > Aporphines
IUPAC Name 2,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol
SMILES (Canonical) CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)O)OC)O)OC
SMILES (Isomeric) CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)O)OC)O)OC
InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-16(24-3)19(22)18-12-9-14(21)15(23-2)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3
InChI Key PLEOQAHCVRVCDL-UHFFFAOYSA-N
Popularity 1 reference 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) 62.20 Ų
XlogP 2.20

Synonyms

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CHEMBL410604
4H-Dibenzo(de,g)quinoline-1,10-diol, 5,6,6a,7-tetrahydro-2,9-dimethoxy-6-methyl-, (S)-
SCHEMBL11254471
BDBM50206168

2D Structure

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2D Structure of 2,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol

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 99.04% 96.09%
CHEMBL217 P14416 Dopamine D2 receptor 97.53% 95.62%
CHEMBL2056 P21728 Dopamine D1 receptor 95.49% 91.00%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 95.07% 91.79%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.29% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 94.15% 91.49%
CHEMBL2581 P07339 Cathepsin D 93.99% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.35% 95.56%
CHEMBL241 Q14432 Phosphodiesterase 3A 90.81% 92.94%
CHEMBL4208 P20618 Proteasome component C5 90.04% 90.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 90.01% 85.14%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.77% 95.89%
CHEMBL3438 Q05513 Protein kinase C zeta 89.46% 88.48%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 88.76% 91.03%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 87.75% 89.62%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.97% 86.33%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 85.62% 93.40%
CHEMBL4835 P00338 L-lactate dehydrogenase A chain 85.60% 95.34%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.44% 94.00%
CHEMBL4247 Q9UM73 ALK tyrosine kinase receptor 84.34% 96.86%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 83.82% 93.03%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.21% 90.71%
CHEMBL5747 Q92793 CREB-binding protein 81.00% 95.12%
CHEMBL2535 P11166 Glucose transporter 81.00% 98.75%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 80.72% 82.38%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.55% 89.00%
CHEMBL3474 P14555 Phospholipase A2 group IIA 80.18% 94.05%

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.
Corydalis gortschakovii

Cross-Links

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PubChem 3084440
LOTUS LTS0043491
wikiData Q105210860