Phyto4Health

Forsythiaside

Representations & DB's id

ChEBI: CHEBI:5160
ChEMBL: CHEMBL504363
PubChem: 5281773
IUPAC: [(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Standard InChI: InChI=1S/C29H36O15/c1-13-22(35)23(36)25(38)29(42-13)41-12-20-27(44-21(34)7-4-14-2-5-16(30)18(32)10-14)24(37)26(39)28(43-20)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29+/m0/s1
Standard InChI Key: DTOUWTJYUCZJQD-UJERWXFOSA-N
SMILES: O=C(O[C@@H]1[C@@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O[C@H]([C@@H]([C@H]1O)O)OCCc1ccc(c(c1)O)O)/C=C/c1ccc(c(c1)O)O

Molecular propeties

AlogP: -1.02
Hydrogen bonds acceptors: 15
Hydrogen bonds donors: 9
Rotatable bonds: 10
Number of rings: 4
Molecular Weight: 624.21
Topological polar surface area: 245
Number of aromatic rings: 2
Fsp3: 0.483
Number of carbons: 29

Plant sources

Part of plant Plant name Ref.
PlantDigitalis purpurea

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC501900 nMProtein kinase C alphaP17252