Phyto4Health

Spinonin

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL465777
PubChem: 10813816
IUPAC: (2R)-2-[(4-hydroxyphenyl)methyl]-5-[4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]furan-3-one
Standard InChI: InChI=1S/C23H24O10/c24-10-19-20(28)21(29)22(30)23(33-19)32-16-8-13(26)5-6-14(16)17-9-15(27)18(31-17)7-11-1-3-12(25)4-2-11/h1-6,8-9,18-26,28-30H,7,10H2/t18-,19-,20-,21+,22-,23-/m1/s1
Standard InChI Key: UVBIDKJGBSKHAV-FHJOOOADSA-N
SMILES: OC[C@H]1O[C@@H](Oc2cc(O)ccc2C2=CC(=O)[C@H](O2)Cc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties

AlogP: -0.17
Hydrogen bonds acceptors: 10
Hydrogen bonds donors: 6
Rotatable bonds: 6
Number of rings: 4
Molecular Weight: 460.14
Topological polar surface area: 166
Number of aromatic rings: 2
Fsp3: 0.304
Number of carbons: 23

Plant sources

Part of plant Plant name Ref.
PlantOnonis spinosa

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.