(1R,2S,4R,6S,9R)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one

Details

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Internal ID ac571889-dd47-4337-8432-bb04182bbb0a
Taxonomy Organoheterocyclic compounds > Azaspirodecane derivatives
IUPAC Name (1R,2S,4R,6S,9R)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one
SMILES (Canonical) CC1CC2CC(=O)C3C24CCCN(C4(C1)O)CCC3
SMILES (Isomeric) C[C@@H]1C[C@H]2CC(=O)[C@H]3[C@@]24CCCN([C@@]4(C1)O)CCC3
InChI InChI=1S/C16H25NO2/c1-11-8-12-9-14(18)13-4-2-6-17-7-3-5-15(12,13)16(17,19)10-11/h11-13,19H,2-10H2,1H3/t11-,12+,13+,15-,16+/m1/s1
InChI Key ZLMYGBDFISIGLH-GADBESIXSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H25NO2
Molecular Weight 263.37 g/mol
Exact Mass 263.188529040 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 1.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (1R,2S,4R,6S,9R)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-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 97.44% 97.25%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.23% 85.14%
CHEMBL3137262 O60341 LSD1/CoREST complex 94.81% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.45% 96.09%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 88.81% 93.04%
CHEMBL238 Q01959 Dopamine transporter 87.86% 95.88%
CHEMBL1902 P62942 FK506-binding protein 1A 86.40% 97.05%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 85.55% 93.03%
CHEMBL2581 P07339 Cathepsin D 85.23% 98.95%
CHEMBL241 Q14432 Phosphodiesterase 3A 84.90% 92.94%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.40% 95.56%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.11% 100.00%
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 83.99% 95.58%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 83.52% 90.24%
CHEMBL3012 Q13946 Phosphodiesterase 7A 83.44% 99.29%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 82.62% 82.69%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.42% 95.89%
CHEMBL4208 P20618 Proteasome component C5 82.32% 90.00%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 80.90% 93.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.16% 89.00%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 80.09% 94.78%

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.
Huperzia serrata

Cross-Links

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PubChem 162908907
LOTUS LTS0189408
wikiData Q105378982