Chartarlactam E

Details

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Internal ID b44220c1-989c-4bad-99ad-9e41d9a42d33
Taxonomy Organoheterocyclic compounds > Isoindoles and derivatives > Isoindoles
IUPAC Name (4aS,5R,6R,8aR)-4'-hydroxy-1,1,4a,6-tetramethylspiro[3,4,6,7,8,8a-hexahydronaphthalene-5,2'-7,8-dihydro-3H-furo[2,3-e]isoindole]-2,6'-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H29NO4/c1-12-5-6-17-21(2,3)18(26)7-8-22(17,4)23(12)10-14-16(25)9-13-15(19(14)28-23)11-24-20(13)27/h9,12,17,25H,5-8,10-11H2,1-4H3,(H,24,27)/t12-,17+,22+,23-/m1/s1
InChI Key KJEQWSSBBRHMKM-OQOGLVOPSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C23H29NO4
Molecular Weight 383.50 g/mol
Exact Mass 383.20965841 g/mol
Topological Polar Surface Area (TPSA) 75.60 Ų
XlogP 3.40

Synonyms

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CHEMBL3104981

2D Structure

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2D Structure of Chartarlactam E

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 99.10% 91.11%
CHEMBL2581 P07339 Cathepsin D 96.13% 98.95%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 94.97% 95.64%
CHEMBL241 Q14432 Phosphodiesterase 3A 94.55% 92.94%
CHEMBL2850 P49840 Glycogen synthase kinase-3 alpha 94.45% 88.84%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 91.82% 93.40%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.75% 96.09%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.63% 94.00%
CHEMBL262 P49841 Glycogen synthase kinase-3 beta 89.84% 95.72%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.92% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 88.50% 91.49%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 88.47% 92.88%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 88.42% 93.03%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.06% 97.09%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 87.61% 85.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.81% 89.00%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 85.73% 91.71%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.69% 100.00%
CHEMBL1937 Q92769 Histone deacetylase 2 84.91% 94.75%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.61% 99.23%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 84.08% 95.53%
CHEMBL2708 Q16584 Mitogen-activated protein kinase kinase kinase 11 84.01% 81.14%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.18% 90.71%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 82.74% 96.00%
CHEMBL2147 P11309 Serine/threonine-protein kinase PIM1 80.96% 97.95%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 80.88% 93.04%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.59% 95.89%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 80.57% 85.30%

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 73891073
LOTUS LTS0022919
wikiData Q77495949