Cordypyridone C

Details

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Internal ID fc52395a-7f76-4852-bd9c-b9b442b438b8
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromenopyridines
IUPAC Name (6S,6aR,8R,10S,10aR)-2-methoxy-6,6a,8,10-tetramethyl-6,7,8,9,10,10a-hexahydroisochromeno[4,3-c]pyridin-1-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H25NO3/c1-10-8-11(2)15-14-13(6-7-18(20-5)16(14)19)21-12(3)17(15,4)9-10/h6-7,10-12,15H,8-9H2,1-5H3/t10-,11+,12+,15+,17+/m1/s1
InChI Key DPARKPYITVXEDI-BYUDVDJISA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C17H25NO3
Molecular Weight 291.40 g/mol
Exact Mass 291.18344366 g/mol
Topological Polar Surface Area (TPSA) 38.80 Ų
XlogP 3.30

Synonyms

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(6S,6aR,8R,10S,10aR)-2-methoxy-6,6a,8,10-tetramethyl-6,7,8,9,10,10a-hexahydroisochromeno[4,3-c]pyridin-1-one

2D Structure

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2D Structure of Cordypyridone C

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.73% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 90.98% 97.25%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 90.39% 97.14%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.54% 86.33%
CHEMBL4051 P13569 Cystic fibrosis transmembrane conductance regulator 88.00% 95.71%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.96% 94.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.57% 97.09%
CHEMBL2581 P07339 Cathepsin D 85.91% 98.95%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 85.73% 93.40%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.62% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.51% 94.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 84.77% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.87% 89.00%

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 10968280
LOTUS LTS0049925
wikiData Q77514558