Phyto4Health

(-)-Silychristin

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL589325
PubChem: 12442785
IUPAC: (2R,3R)-3,5,7-trihydroxy-2-[(2S,3R)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one
Standard InChI: InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3/t14-,22-,23+,24+/m0/s1
Standard InChI Key: BMLIIPOXVWESJG-KEDVUCMTSA-N
SMILES: OC[C@H]1c2cc(cc(c2O[C@@H]1c1ccc(c(c1)OC)O)O)[C@H]1Oc2cc(O)cc(c2C(=O)[C@@H]1O)O

Molecular propeties

AlogP: 2.4
Hydrogen bonds acceptors: 10
Hydrogen bonds donors: 6
Rotatable bonds: 4
Number of rings: 5
Molecular Weight: 482.12
Topological polar surface area: 166
Number of aromatic rings: 3
Fsp3: 0.24
Number of carbons: 25

Plant sources

Part of plant Plant name Ref.
FructusSilybum marianum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.