Calceolarioside B

Representations & DB's id
ChEBI:	CHEBI:68345
ChEMBL:	CHEMBL518414
PubChem:	5273567
IUPAC:	[(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Standard InChI:	InChI=1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2/b6-3+/t18-,20-,21+,22-,23-/m1/s1
Standard InChI Key:	LFKQVVDFNHDYNK-FOXCETOMSA-N
SMILES:	O=C(OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O)/C=C/c1ccc(c(c1)O)O

Molecular propeties
AlogP:	0.13
Hydrogen bonds acceptors:	11
Hydrogen bonds donors:	7
Rotatable bonds:	8
Number of rings:	3
Molecular Weight:	478.15
Topological polar surface area:	186
Number of aromatic rings:	2
Fsp3:	0.348
Number of carbons:	23

Plant sources

Part of plant	Plant name	Ref.
Plant	Digitalis purpurea

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
IC50	4600 nM	Protein kinase C alpha	P17252