6-deca-1,3-dienyl-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol

Details

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Internal ID eb6538b3-da42-420f-a0e5-acd163b1c8aa
Taxonomy Organoheterocyclic compounds > Quinolizines
IUPAC Name 6-deca-1,3-dienyl-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H35NO/c1-3-4-5-6-7-8-9-10-12-18-13-11-14-19-15-16-20(22)17(2)21(18)19/h8-10,12,17-20,22H,3-7,11,13-16H2,1-2H3
InChI Key BWYKUGCLFVUKMC-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H35NO
Molecular Weight 305.50 g/mol
Exact Mass 305.271864740 g/mol
Topological Polar Surface Area (TPSA) 23.50 Ų
XlogP 5.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6-deca-1,3-dienyl-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-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
CHEMBL2581 P07339 Cathepsin D 96.18% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.85% 96.09%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 92.46% 100.00%
CHEMBL4005 P42336 PI3-kinase p110-alpha subunit 91.79% 97.47%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 90.96% 92.08%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 90.22% 97.29%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 90.12% 91.81%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.45% 99.17%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.42% 97.09%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 86.20% 96.47%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 85.30% 95.50%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 84.59% 85.94%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 84.52% 92.86%
CHEMBL4588 P22894 Matrix metalloproteinase 8 84.15% 94.66%
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 83.48% 95.58%
CHEMBL1075162 Q13304 Uracil nucleotide/cysteinyl leukotriene receptor 83.46% 80.33%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 83.41% 96.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 83.34% 93.56%
CHEMBL2664 P23526 Adenosylhomocysteinase 83.12% 86.67%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.01% 95.89%
CHEMBL2730 P21980 Protein-glutamine gamma-glutamyltransferase 82.78% 92.38%
CHEMBL5203 P33316 dUTP pyrophosphatase 82.68% 99.18%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 82.36% 90.24%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 81.53% 89.62%
CHEMBL253 P34972 Cannabinoid CB2 receptor 81.15% 97.25%
CHEMBL5103 Q969S8 Histone deacetylase 10 80.15% 90.08%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 73836239
LOTUS LTS0068908
wikiData Q104947803