Phyto4Health

Narirutin

Representations & DB's id

ChEBI: CHEBI:28705
ChEMBL: CHEMBL446246
PubChem: 442431
IUPAC: (2S)-5-hydroxy-2-(4-hydroxyphenyl)-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/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
Standard InChI Key: HXTFHSYLYXVTHC-AJHDJQPGSA-N
SMILES: Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O

Molecular propeties

AlogP: -1.17
Hydrogen bonds acceptors: 14
Hydrogen bonds donors: 8
Rotatable bonds: 6
Number of rings: 5
Molecular Weight: 580.18
Topological polar surface area: 225
Number of aromatic rings: 2
Fsp3: 0.519
Number of carbons: 27

Plant sources

Part of plant Plant name Ref.
ImmaturusCitrus unshiu
FructusFoeniculum vulgare

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.