2,10-Dihydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one

Details

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Internal ID f3318713-5a2e-4019-a490-8416fae23bb0
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 2,10-dihydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
SMILES (Canonical) CC1CC2CC(=O)C3(CCCN4C3(C1)C2(CCC4)O)O
SMILES (Isomeric) CC1CC2CC(=O)C3(CCCN4C3(C1)C2(CCC4)O)O
InChI InChI=1S/C16H25NO3/c1-11-8-12-9-13(18)15(20)5-3-7-17-6-2-4-14(12,19)16(15,17)10-11/h11-12,19-20H,2-10H2,1H3
InChI Key ZIFWVZIDXAANJA-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H25NO3
Molecular Weight 279.37 g/mol
Exact Mass 279.18344366 g/mol
Topological Polar Surface Area (TPSA) 60.80 Ų
XlogP 0.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2,10-Dihydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-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 96.08% 97.25%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 94.58% 85.14%
CHEMBL2581 P07339 Cathepsin D 91.47% 98.95%
CHEMBL299 P17252 Protein kinase C alpha 90.66% 98.03%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.51% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.44% 97.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.38% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.43% 99.23%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 85.49% 93.03%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 84.97% 82.69%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 83.45% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.42% 95.56%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 82.34% 93.04%

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 73209353
LOTUS LTS0191836
wikiData Q105376313