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

Details

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Internal ID f1c2a9f7-2cfa-4340-8492-7f1d29fc22c2
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 10-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
SMILES (Canonical) CC1CC2CC(=O)C3(CCCN4C3(C1)C2CCC4)O
SMILES (Isomeric) CC1CC2CC(=O)C3(CCCN4C3(C1)C2CCC4)O
InChI InChI=1S/C16H25NO2/c1-11-8-12-9-14(18)16(19)5-3-7-17-6-2-4-13(12)15(16,17)10-11/h11-13,19H,2-10H2,1H3
InChI Key ALARRFUNNZTEFS-UHFFFAOYSA-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 1.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 10-Hydroxy-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 97.41% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.85% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.82% 97.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.80% 85.14%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 91.74% 82.69%
CHEMBL2581 P07339 Cathepsin D 88.41% 98.95%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 88.35% 93.04%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.06% 99.23%
CHEMBL241 Q14432 Phosphodiesterase 3A 86.46% 92.94%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 84.15% 93.03%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.48% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.11% 86.33%
CHEMBL1907601 P11802 Cyclin-dependent kinase 4/cyclin D1 82.84% 98.99%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 81.71% 95.50%
CHEMBL1994 P08235 Mineralocorticoid receptor 81.41% 100.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.02% 94.00%
CHEMBL4660 P28907 Lymphocyte differentiation antigen CD38 80.91% 95.27%
CHEMBL1937 Q92769 Histone deacetylase 2 80.31% 94.75%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 80.20% 90.24%

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.
Clausena excavata
Huperzia lucidula
Huperzia miyoshiana
Lycopodium japonicum

Cross-Links

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PubChem 5315953
NPASS NPC136263
LOTUS LTS0184605
wikiData Q104913985