Flavipesine A

Details

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Internal ID 2bfd140e-87cd-49cf-822a-29f3df1f2838
Taxonomy Organoheterocyclic compounds > Isoindoles and derivatives
IUPAC Name (1R,2R,6S,7R,10S,11R,12S,15S,16S)-2,16-dihydroxy-9,10-dimethyl-5-methylidene-12-(2-methylpropyl)-19-oxa-13-azapentacyclo[14.2.1.01,6.07,15.011,15]nonadec-8-en-14-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C24H35NO4/c1-12(2)10-17-20-15(5)14(4)11-16-19-13(3)6-7-18(26)22(19)8-9-23(28,29-22)24(16,20)21(27)25-17/h11-12,15-20,26,28H,3,6-10H2,1-2,4-5H3,(H,25,27)/t15-,16-,17+,18-,19-,20+,22+,23+,24-/m1/s1
InChI Key BNJUYPZDFJSNCX-MNWGYRPNSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C24H35NO4
Molecular Weight 401.50 g/mol
Exact Mass 401.25660860 g/mol
Topological Polar Surface Area (TPSA) 78.80 Ų
XlogP 1.90

Synonyms

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Flavipesine A
BDBM50509373

2D Structure

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2D Structure of Flavipesine A

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 98.07% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.88% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.73% 95.56%
CHEMBL1937 Q92769 Histone deacetylase 2 93.54% 94.75%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.13% 85.14%
CHEMBL5103 Q969S8 Histone deacetylase 10 90.64% 90.08%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 90.55% 90.24%
CHEMBL1994 P08235 Mineralocorticoid receptor 90.47% 100.00%
CHEMBL325 Q13547 Histone deacetylase 1 89.80% 95.92%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.09% 97.09%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 89.08% 96.47%
CHEMBL3359 P21462 Formyl peptide receptor 1 88.44% 93.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.98% 99.23%
CHEMBL253 P34972 Cannabinoid CB2 receptor 87.36% 97.25%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 87.28% 90.93%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.61% 89.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.52% 90.71%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 84.97% 86.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.65% 94.45%
CHEMBL4227 P25090 Lipoxin A4 receptor 83.33% 100.00%
CHEMBL2996 Q05655 Protein kinase C delta 82.49% 97.79%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.38% 95.89%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 82.28% 93.03%
CHEMBL4835 P00338 L-lactate dehydrogenase A chain 82.26% 95.34%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 82.22% 85.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.90% 94.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 80.08% 93.99%
CHEMBL3310 Q96DB2 Histone deacetylase 11 80.04% 88.56%

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 145721288
LOTUS LTS0122446
wikiData Q104938844