(1R,2R,13R,15R)-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-10-en-12-one

Details

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Internal ID 5d160f5d-6ba0-4dfa-a019-53d3d03ebe52
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name (1R,2R,13R,15R)-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-10-en-12-one
SMILES (Canonical) CC1CC2C3CCCN4C3(C1)C(=C(C2=O)O)CCC4
SMILES (Isomeric) C[C@@H]1C[C@@H]2[C@H]3CCCN4[C@@]3(C1)C(=C(C2=O)O)CCC4
InChI InChI=1S/C16H23NO2/c1-10-8-11-12-4-2-6-17-7-3-5-13(15(19)14(11)18)16(12,17)9-10/h10-12,19H,2-9H2,1H3/t10-,11-,12-,16-/m1/s1
InChI Key WGDYIUPOJSCTTE-DSZLRUIBSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H23NO2
Molecular Weight 261.36 g/mol
Exact Mass 261.172878976 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 (1R,2R,13R,15R)-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-10-en-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 96.14% 97.25%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 94.03% 93.40%
CHEMBL3137262 O60341 LSD1/CoREST complex 93.84% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.03% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.01% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.75% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 89.31% 85.14%
CHEMBL2581 P07339 Cathepsin D 88.10% 98.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.05% 99.23%
CHEMBL241 Q14432 Phosphodiesterase 3A 85.68% 92.94%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.02% 95.89%
CHEMBL1871 P10275 Androgen Receptor 85.01% 96.43%
CHEMBL5203 P33316 dUTP pyrophosphatase 84.47% 99.18%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 83.75% 82.69%
CHEMBL1994 P08235 Mineralocorticoid receptor 83.12% 100.00%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 82.17% 93.04%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.62% 90.71%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 80.26% 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 162887652
LOTUS LTS0209764
wikiData Q105304419