Phyto4Health

Silychristin

Representations & DB's id
ChEBI: CHEBI:9143
ChEMBL: CHEMBL130493
PubChem: 441764
IUPAC: (2R,3R)-3,5,7-trihydroxy-2-[(2R,3S)-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-/m1/s1
Standard InChI Key: BMLIIPOXVWESJG-LMBCONBSSA-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.
PlantSilybum marianum
FruitSilybum marianum
SeedSilybum marianum
PlantSilybum marianum
FruitSilybum marianum
SeedSilybum marianum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC509000 nMSolute carrier organic anion transporter family member 1B1Q9Y6L6
IC5036400 nMSolute carrier organic anion transporter family member 1B3Q9NPD5
IC503600 nMSolute carrier organic anion transporter family member 2B1O94956