Phyto4Health

Flavanomarein

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL1405715
PubChem: 101781
IUPAC: (2S)-2-(3,4-dihydroxyphenyl)-8-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Standard InChI: InChI=1S/C21H22O11/c22-7-15-16(26)18(28)19(29)21(32-15)31-13-4-2-9-11(24)6-14(30-20(9)17(13)27)8-1-3-10(23)12(25)5-8/h1-5,14-16,18-19,21-23,25-29H,6-7H2/t14-,15+,16+,18-,19+,21+/m0/s1
Standard InChI Key: DGGOLFCPSUVVHX-RTHJTPBESA-N
SMILES: OC[C@H]1O[C@@H](Oc2ccc3c(c2O)O[C@@H](CC3=O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties

AlogP: -0.31
Hydrogen bonds acceptors: 11
Hydrogen bonds donors: 7
Rotatable bonds: 4
Number of rings: 4
Molecular Weight: 450.12
Topological polar surface area: 186
Number of aromatic rings: 2
Fsp3: 0.381
Number of carbons: 21

Plant sources

Part of plant Plant name Ref.
PlantBidens tripartita

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.