6-Hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one

Details

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Internal ID 0b72e6c1-4e7c-40ac-829e-bf910b3ba199
Taxonomy Alkaloids and derivatives > Lupin alkaloids > Sparteine, lupanine, and related alkaloids
IUPAC Name 6-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H24N2O2/c18-14-6-3-5-12-10-8-11(15(19)17(12)14)13-4-1-2-7-16(13)9-10/h10-14,18H,1-9H2
InChI Key DFYHVSRWEQLWAJ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24N2O2
Molecular Weight 264.36 g/mol
Exact Mass 264.183778013 g/mol
Topological Polar Surface Area (TPSA) 43.80 Ų
XlogP 1.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6-Hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-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 95.61% 97.25%
CHEMBL1978 P11511 Cytochrome P450 19A1 91.69% 91.76%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 89.53% 93.03%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.85% 97.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.66% 95.56%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 86.55% 93.04%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.84% 96.09%
CHEMBL4394 Q9NYA1 Sphingosine kinase 1 85.78% 96.03%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 85.73% 83.57%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.40% 95.89%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 85.01% 94.78%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.74% 90.71%
CHEMBL2581 P07339 Cathepsin D 83.11% 98.95%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.12% 92.94%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 81.03% 93.00%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 80.20% 98.33%

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.
Pinus hartwegii

Cross-Links

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PubChem 162990289
LOTUS LTS0083405
wikiData Q104978428