Phyto4Health

Chrysophanein

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL112709
PubChem: 6324923
IUPAC: 8-hydroxy-3-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
Standard InChI: InChI=1S/C21H20O9/c1-8-5-10-15(18(26)14-9(16(10)24)3-2-4-11(14)23)12(6-8)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3/t13-,17-,19+,20-,21-/m1/s1
Standard InChI Key: QKPDYSSHOSPOKH-JNHRPPPUSA-N
SMILES: OC[C@H]1O[C@@H](Oc2cc(C)cc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties

AlogP: -0.35
Hydrogen bonds acceptors: 9
Hydrogen bonds donors: 5
Rotatable bonds: 3
Number of rings: 4
Molecular Weight: 416.11
Topological polar surface area: 154
Number of aromatic rings: 2
Fsp3: 0.333
Number of carbons: 21

Plant sources

Part of plant Plant name Ref.
PlantVerbascum thapsiforme
PlantTanacetum coccineum
RootRheum palmatum
RootRheum palmatum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.