Phyto4Health

Eriocitrin

Representations & DB's id

ChEBI: CHEBI:28709
ChEMBL: CHEMBL2165586
PubChem: 83489
IUPAC: (2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Standard InChI: InChI=1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
Standard InChI Key: OMQADRGFMLGFJF-MNPJBKLOSA-N
SMILES: O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)c3c(c2)O[C@@H](CC3=O)c2ccc(c(c2)O)O)O[C@@H]([C@H]1O)CO[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O

Molecular propeties

AlogP: -1.46
Hydrogen bonds acceptors: 15
Hydrogen bonds donors: 9
Rotatable bonds: 6
Number of rings: 5
Molecular Weight: 596.17
Topological polar surface area: 245
Number of aromatic rings: 2
Fsp3: 0.519
Number of carbons: 27

Plant sources

Part of plant Plant name Ref.
PlantCitrus unshiu
FructusFoeniculum vulgare

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.