Cyclopiamide G

Details

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Internal ID 6f34628d-abf3-46c3-9f74-09ad375e1152
Taxonomy Benzenoids > Tetralins
IUPAC Name (1S,2R,6R)-1-hydroxy-5,5-dimethyl-4,13-diazatetracyclo[6.6.1.02,6.012,15]pentadeca-8(15),9,11-triene-3,14-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H16N2O3/c1-14(2)8-6-7-4-3-5-9-10(7)15(20,13(19)16-9)11(8)12(18)17-14/h3-5,8,11,20H,6H2,1-2H3,(H,16,19)(H,17,18)/t8-,11+,15-/m1/s1
InChI Key JLKLTLMELBLISX-OTDPEBBPSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H16N2O3
Molecular Weight 272.30 g/mol
Exact Mass 272.11609238 g/mol
Topological Polar Surface Area (TPSA) 78.40 Ų
XlogP 0.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Cyclopiamide G

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.81% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.98% 96.09%
CHEMBL2581 P07339 Cathepsin D 94.67% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.20% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.15% 94.45%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 90.38% 93.03%
CHEMBL217 P14416 Dopamine D2 receptor 89.87% 95.62%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.74% 97.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 88.48% 100.00%
CHEMBL253 P34972 Cannabinoid CB2 receptor 87.18% 97.25%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.74% 86.33%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.59% 95.89%
CHEMBL1937 Q92769 Histone deacetylase 2 81.98% 94.75%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.81% 99.23%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 139585862
LOTUS LTS0074630
wikiData Q77493513