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Drug Details

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Name:Vescalagin
PubChem ID:3002102
Pathway:Show KEGG pathways
InChI:InChI=1S/C41H26O26/c42-8-1-5-12(24(48)21(8)45)13-6(2-9(43)22(46)25(13)49)39(60)65-34-11(4-63-37(5)58)64-38(59)7-3-10(44)23(47)26(50)14(7)15-18-16(28(52)32(56)27(15)51)17-19-20(30(54)33(57)29(17)53)31(55)35(66-41(19)62)36(34)67-40(18)61/h1-3,11,31,34-36,42-57H,4H2/t11?,31-,34?,35?,36?/m0/s1
SMILES:O=C1OC2COC(=O)c3cc(O)c(c(c3c3c(C(=O)OC2C2OC(=O)c4c(c5c1cc(O)c(c5O)O)c(O)c(O)c(c4c1c4C(=O)OC2[C@@H](O)c4c(c(c1O)O)O)O)cc(O)c(c3O)O)O)O

Properties:
Formula:C41H26O26Atoms:67
Molecular Weight:934.63Rotatable Bonds:0
H-bond Acceptors:26H-bond Donors:16
logP:1.318
Targets:
NameUniprot IDSourceReferencesInteraction
Protein kinase C alpha typeKPCA_HUMANBindingDB-shows
Synonyms:
()-oxazepam hemisuccinate sodium salt
10-14-0
36001-47-5
AC1MHE5B
AIDS-032022
AIDS032022
CHEBI:155249
CHEMBL288949
CID3002102
NSC297812
Vescalagin