Phyto4Health

Diosmin

Representations & DB's id

ChEBI: CHEBI:4631
ChEMBL: CHEMBL231884
PubChem: 5281613
IUPAC: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Standard InChI: InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
Standard InChI Key: GZSOSUNBTXMUFQ-YFAPSIMESA-N
SMILES: COc1ccc(cc1O)c1cc(=O)c2c(o1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O

Molecular propeties

AlogP: -1.09
Hydrogen bonds acceptors: 15
Hydrogen bonds donors: 8
Rotatable bonds: 7
Number of rings: 5
Molecular Weight: 608.17
Topological polar surface area: 234
Number of aromatic rings: 3
Fsp3: 0.464
Number of carbons: 28

Plant sources

Part of plant Plant name Ref.
PericarpiumCitrus unshiu
PlantNicotiana tabacum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency31622.8 nMHistone-lysine N-methyltransferase MLLQ03164
Potency25118.9 nMDNA polymerase betaP06746
Potency19952.6 nMLysine-specific demethylase 4AO75164
Potency39810.7 nMHistone acetyltransferase GCN5Q92830
Potency5802.4 nMATPase family AAA domain-containing protein 5Q96QE3
Potency562.3 nMGemininO75496