Phyto4Health

Poncirin

Representations & DB's id

ChEBI: CHEBI:66773
ChEMBL: CHEMBL451050
PubChem: 442456
IUPAC: (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Standard InChI: InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
Standard InChI Key: NLAWPKPYBMEWIR-SKYQDXIQSA-N
SMILES: OC[C@H]1O[C@@H](Oc2cc3O[C@@H](CC(=O)c3c(c2)O)c2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O

Molecular propeties

AlogP: -0.86
Hydrogen bonds acceptors: 14
Hydrogen bonds donors: 7
Rotatable bonds: 7
Number of rings: 5
Molecular Weight: 594.19
Topological polar surface area: 214
Number of aromatic rings: 2
Fsp3: 0.536
Number of carbons: 28

Plant sources

Part of plant Plant name Ref.
PericarpiumCitrus unshiu

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.