8-Chloro-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadeca-8,10-dien-12-one

Details

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Internal ID fb1b5ccc-f823-475c-8712-14bb9909a519
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 8-chloro-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadeca-8,10-dien-12-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H20ClNO2/c1-9-5-11-12-3-2-4-18-8-10(17)6-13(15(20)14(11)19)16(12,18)7-9/h6,9,11-12,20H,2-5,7-8H2,1H3
InChI Key GNHFOJPTLHAKDZ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H20ClNO2
Molecular Weight 293.79 g/mol
Exact Mass 293.1182566 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 2.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 8-Chloro-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadeca-8,10-dien-12-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 98.60% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.87% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 90.34% 85.14%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.24% 97.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.19% 94.45%
CHEMBL2581 P07339 Cathepsin D 87.70% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.58% 96.09%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 86.94% 94.78%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.89% 95.89%
CHEMBL1871 P10275 Androgen Receptor 86.11% 96.43%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.96% 100.00%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 85.42% 83.57%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.45% 95.56%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 82.58% 86.00%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 82.25% 93.40%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.62% 86.33%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.57% 90.71%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 80.91% 95.50%
CHEMBL332 P03956 Matrix metalloproteinase-1 80.74% 94.50%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 80.60% 82.69%
CHEMBL4660 P28907 Lymphocyte differentiation antigen CD38 80.43% 95.27%
CHEMBL241 Q14432 Phosphodiesterase 3A 80.24% 92.94%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 80.16% 93.03%

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 serrata

Cross-Links

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PubChem 163027104
LOTUS LTS0082179
wikiData Q105012515