N-[(1R,2R,13S,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-10-en-11-yl]acetamide

Details

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Internal ID fe1f8d58-4ec2-4d54-baf1-f1d004bb8a05
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name N-[(1R,2R,13S,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-10-en-11-yl]acetamide
SMILES (Canonical) CC1CC2CC(=C3CCCN4C3(C1)C2CCC4)NC(=O)C
SMILES (Isomeric) C[C@@H]1C[C@H]2CC(=C3CCCN4[C@]3(C1)[C@@H]2CCC4)NC(=O)C
InChI InChI=1S/C18H28N2O/c1-12-9-14-10-17(19-13(2)21)16-6-4-8-20-7-3-5-15(14)18(16,20)11-12/h12,14-15H,3-11H2,1-2H3,(H,19,21)/t12-,14+,15-,18-/m1/s1
InChI Key QLRULOBLOJIFRC-MJXUCMMTSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H28N2O
Molecular Weight 288.40 g/mol
Exact Mass 288.220163521 g/mol
Topological Polar Surface Area (TPSA) 32.30 Ų
XlogP 2.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of N-[(1R,2R,13S,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-10-en-11-yl]acetamide

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
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 98.36% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.81% 96.09%
CHEMBL340 P08684 Cytochrome P450 3A4 89.23% 91.19%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 88.51% 95.50%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.76% 97.09%
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 87.50% 95.58%
CHEMBL253 P34972 Cannabinoid CB2 receptor 87.28% 97.25%
CHEMBL217 P14416 Dopamine D2 receptor 86.95% 95.62%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 86.48% 94.33%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 86.19% 96.38%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 85.75% 93.04%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.19% 99.23%
CHEMBL3430907 Q96GD4 Aurora kinase B/Inner centromere protein 84.05% 97.50%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.83% 95.89%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 83.45% 91.11%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.33% 92.94%
CHEMBL1951 P21397 Monoamine oxidase A 82.09% 91.49%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.34% 100.00%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 80.14% 91.03%

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 lucidula
Lycopodium deuterodensum

Cross-Links

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PubChem 101289809
LOTUS LTS0219323
wikiData Q105223749