6,9-Dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-8-one

Details

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Internal ID 4e394ef2-4f4b-434f-a9d0-5d36a727dac4
Taxonomy Alkaloids and derivatives > Lupin alkaloids > Sparteine, lupanine, and related alkaloids
IUPAC Name 6,9-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-8-one
SMILES (Canonical) C1CCN2CC3CC(C2C1)(C(=O)N4C3=CCCC4O)O
SMILES (Isomeric) C1CCN2CC3CC(C2C1)(C(=O)N4C3=CCCC4O)O
InChI InChI=1S/C15H22N2O3/c18-13-6-3-4-11-10-8-15(20,14(19)17(11)13)12-5-1-2-7-16(12)9-10/h4,10,12-13,18,20H,1-3,5-9H2
InChI Key GYUOINKECRUGRY-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H22N2O3
Molecular Weight 278.35 g/mol
Exact Mass 278.16304257 g/mol
Topological Polar Surface Area (TPSA) 64.00 Ų
XlogP 0.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6,9-Dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-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
CHEMBL2581 P07339 Cathepsin D 94.45% 98.95%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.41% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.92% 96.09%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 90.86% 93.40%
CHEMBL253 P34972 Cannabinoid CB2 receptor 89.36% 97.25%
CHEMBL241 Q14432 Phosphodiesterase 3A 89.19% 92.94%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.01% 95.56%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 87.81% 93.04%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 87.67% 90.24%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 87.32% 90.71%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 86.90% 93.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.58% 91.11%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 86.43% 82.69%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 84.93% 93.03%
CHEMBL4208 P20618 Proteasome component C5 84.49% 90.00%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 84.34% 94.78%
CHEMBL5255 O00206 Toll-like receptor 4 83.62% 92.50%
CHEMBL3012 Q13946 Phosphodiesterase 7A 81.98% 99.29%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.57% 95.89%
CHEMBL3192 Q9BY41 Histone deacetylase 8 80.49% 93.99%

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.
Lupinus argenteus

Cross-Links

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PubChem 14583426
LOTUS LTS0081118
wikiData Q105024191