[(2R,3S,4S,5R,6S)-6-[5,7-Dihydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-4-Oxochromen-3-Yl]Oxy-3,4,5-Trihydroxyoxan-2-Yl]Methyl (E)-3-(4-Hydroxyphenyl)Prop-2-Enoate

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL233903
PubChem:	44429737
IUPAC:	[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Standard InChI:	InChI=1S/C31H28O14/c1-41-20-10-15(5-8-18(20)34)29-30(26(38)24-19(35)11-17(33)12-21(24)43-29)45-31-28(40)27(39)25(37)22(44-31)13-42-23(36)9-4-14-2-6-16(32)7-3-14/h2-12,22,25,27-28,31-35,37,39-40H,13H2,1H3/b9-4+/t22-,25-,27+,28-,31+/m1/s1
Standard InChI Key:	TVMGLJJYKIHJNJ-SETHOQODSA-N
SMILES:	COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(cc2)O)[C@H]([C@@H]([C@H]1O)O)O)O

Molecular propeties
AlogP:	1.73
Hydrogen bonds acceptors:	14
Hydrogen bonds donors:	7
Rotatable bonds:	8
Number of rings:	5
Molecular Weight:	624.15
Topological polar surface area:	222
Number of aromatic rings:	4
Fsp3:	0.226
Number of carbons:	31

Plant sources

Part of plant	Plant name	Ref.
Plant	Calendula officinalis

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.