Phyto4Health

Sulfurein

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL491695
PubChem: 10071442
IUPAC: (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one
Standard InChI: InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-10-2-3-11-14(7-10)30-15(17(11)25)6-9-1-4-12(23)13(24)5-9/h1-7,16,18-24,26-28H,8H2/b15-6-/t16-,18-,19+,20-,21-/m1/s1
Standard InChI Key: MEHCTOVFPFJFEW-LTEMJKMTSA-N
SMILES: OC[C@H]1O[C@@H](Oc2ccc3c(c2)O/C(=Cc2ccc(c(c2)O)O)/C3=O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties

AlogP: -0.11
Hydrogen bonds acceptors: 10
Hydrogen bonds donors: 6
Rotatable bonds: 4
Number of rings: 4
Molecular Weight: 432.11
Topological polar surface area: 166
Number of aromatic rings: 2
Fsp3: 0.286
Number of carbons: 21

Plant sources

Part of plant Plant name Ref.
PlantCotinus coggygria
PlantCotinus coggygria

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.