2-[(Z)-hex-3-enyl]-8-methoxy-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one

Details

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Internal ID fc9a4820-a15e-4a02-a4de-18fbcb31adaa
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones
IUPAC Name 2-[(Z)-hex-3-enyl]-8-methoxy-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one
SMILES (Canonical) CCC=CCCC1CCC2=CC(=O)C3=C(N2C1)C=CC(=C3)OC
SMILES (Isomeric) CC/C=C\CCC1CCC2=CC(=O)C3=C(N2C1)C=CC(=C3)OC
InChI InChI=1S/C20H25NO2/c1-3-4-5-6-7-15-8-9-16-12-20(22)18-13-17(23-2)10-11-19(18)21(16)14-15/h4-5,10-13,15H,3,6-9,14H2,1-2H3/b5-4-
InChI Key BRAQVHKZUKAFMR-PLNGDYQASA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H25NO2
Molecular Weight 311.40 g/mol
Exact Mass 311.188529040 g/mol
Topological Polar Surface Area (TPSA) 29.50 Ų
XlogP 4.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-[(Z)-hex-3-enyl]-8-methoxy-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.44% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 95.43% 97.09%
CHEMBL3192 Q9BY41 Histone deacetylase 8 95.03% 93.99%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.73% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.98% 91.11%
CHEMBL2581 P07339 Cathepsin D 93.66% 98.95%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 91.73% 93.40%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 91.65% 92.62%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.79% 99.17%
CHEMBL1871 P10275 Androgen Receptor 89.49% 96.43%
CHEMBL255 P29275 Adenosine A2b receptor 87.64% 98.59%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.84% 95.89%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.38% 86.33%
CHEMBL1907 P15144 Aminopeptidase N 84.39% 93.31%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.57% 92.94%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 83.43% 95.89%
CHEMBL3820 P35557 Hexokinase type IV 82.90% 91.96%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 82.77% 95.53%
CHEMBL5203 P33316 dUTP pyrophosphatase 82.49% 99.18%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 81.30% 93.00%

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.
Dictyoloma vandellianum

Cross-Links

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PubChem 22298571
LOTUS LTS0035289
wikiData Q104944676