Euvesperin B

Details

Top
Internal ID 96e2a225-328e-411f-96f1-6688e5628b97
Taxonomy Organoheterocyclic compounds > Furopyrroles
IUPAC Name 2-hexyl-3a,6-dihydroxy-2-methyl-6-propan-2-yl-5,6a-dihydrofuro[2,3-c]pyrrole-3,4-dione
SMILES (Canonical) CCCCCCC1(C(=O)C2(C(O1)C(NC2=O)(C(C)C)O)O)C
SMILES (Isomeric) CCCCCCC1(C(=O)C2(C(O1)C(NC2=O)(C(C)C)O)O)C
InChI InChI=1S/C16H27NO5/c1-5-6-7-8-9-14(4)11(18)15(20)12(22-14)16(21,10(2)3)17-13(15)19/h10,12,20-21H,5-9H2,1-4H3,(H,17,19)
InChI Key ZTFGMRBFFSNYSL-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C16H27NO5
Molecular Weight 313.39 g/mol
Exact Mass 313.18892296 g/mol
Topological Polar Surface Area (TPSA) 95.90 Ų
XlogP 2.00

Synonyms

Top
CHEBI:225595
2-hexyl-3a,6-dihydroxy-2-methyl-6-propan-2-yl-5,6a-dihydrouro[2,3-c]pyrrole-3,4-dione

2D Structure

Top
2D Structure of Euvesperin B

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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 96.70% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 96.54% 94.45%
CHEMBL253 P34972 Cannabinoid CB2 receptor 95.42% 97.25%
CHEMBL299 P17252 Protein kinase C alpha 94.88% 98.03%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.59% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.55% 91.11%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 91.41% 97.29%
CHEMBL1937 Q92769 Histone deacetylase 2 88.78% 94.75%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 88.31% 92.88%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 86.45% 85.94%
CHEMBL230 P35354 Cyclooxygenase-2 86.21% 89.63%
CHEMBL2996 Q05655 Protein kinase C delta 86.11% 97.79%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 85.67% 92.86%
CHEMBL3359 P21462 Formyl peptide receptor 1 85.59% 93.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.81% 99.23%
CHEMBL5103 Q969S8 Histone deacetylase 10 82.40% 90.08%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 81.91% 100.00%
CHEMBL4227 P25090 Lipoxin A4 receptor 81.28% 100.00%
CHEMBL3922 P50579 Methionine aminopeptidase 2 81.28% 97.28%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 80.77% 96.47%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.75% 97.09%
CHEMBL3401 O75469 Pregnane X receptor 80.65% 94.73%

Plants that contains it

Top
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.
There are no matching plants.

Cross-Links

Top
PubChem 139589385
LOTUS LTS0124117
wikiData Q104202769