2-Hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

Details

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Internal ID e582049d-80d7-4856-86e6-ec4ad9e6c8b9
Taxonomy Alkaloids and derivatives > Lupin alkaloids > Sparteine, lupanine, and related alkaloids
IUPAC Name 2-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
SMILES (Canonical) C1CCN2CC3CC(C2C1)CN4C3(CCCC4=O)O
SMILES (Isomeric) C1CCN2CC3CC(C2C1)CN4C3(CCCC4=O)O
InChI InChI=1S/C15H24N2O2/c18-14-5-3-6-15(19)12-8-11(9-17(14)15)13-4-1-2-7-16(13)10-12/h11-13,19H,1-10H2
InChI Key GNMOLCPEHSMYLC-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24N2O2
Molecular Weight 264.36 g/mol
Exact Mass 264.183778013 g/mol
Topological Polar Surface Area (TPSA) 43.80 Ų
XlogP 0.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-Hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-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
CHEMBL253 P34972 Cannabinoid CB2 receptor 93.69% 97.25%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 93.29% 93.04%
CHEMBL4235 P28845 11-beta-hydroxysteroid dehydrogenase 1 90.11% 97.98%
CHEMBL2581 P07339 Cathepsin D 89.56% 98.95%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 88.61% 93.03%
CHEMBL216 P11229 Muscarinic acetylcholine receptor M1 87.88% 94.23%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.58% 97.09%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 87.27% 93.40%
CHEMBL241 Q14432 Phosphodiesterase 3A 86.86% 92.94%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.79% 95.56%
CHEMBL4394 Q9NYA1 Sphingosine kinase 1 86.56% 96.03%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.25% 94.45%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 85.84% 95.50%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 85.75% 94.78%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.12% 96.09%
CHEMBL238 Q01959 Dopamine transporter 85.10% 95.88%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.90% 95.89%
CHEMBL3012 Q13946 Phosphodiesterase 7A 84.56% 99.29%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 83.80% 93.00%
CHEMBL217 P14416 Dopamine D2 receptor 82.34% 95.62%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.33% 90.71%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 82.04% 94.08%
CHEMBL340 P08684 Cytochrome P450 3A4 81.90% 91.19%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 81.67% 100.00%
CHEMBL1978 P11511 Cytochrome P450 19A1 81.08% 91.76%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 80.69% 82.69%
CHEMBL4608 P33032 Melanocortin receptor 5 80.48% 97.00%

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.
Bolusanthus speciosus
Maackia amurensis

Cross-Links

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PubChem 73201047
LOTUS LTS0168785
wikiData Q105012796