Phyto4Health

Nicotifloroside

Representations & DB's id

ChEBI: CHEBI:69657
ChEMBL: CHEMBL498879
PubChem: 5318767
IUPAC: 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(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]oxychromen-4-one
Standard InChI: InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
Standard InChI Key: RTATXGUCZHCSNG-QHWHWDPRSA-N
SMILES: Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O[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)O

Molecular propeties

AlogP: -1.39
Hydrogen bonds acceptors: 15
Hydrogen bonds donors: 9
Rotatable bonds: 6
Number of rings: 5
Molecular Weight: 594.16
Topological polar surface area: 245
Number of aromatic rings: 3
Fsp3: 0.444
Number of carbons: 27

Plant sources

Part of plant Plant name Ref.
PlantMalva sylvestris
PlantPimpinella saxifraga
PlantNerium oleander
PlantRhodiola rosea
PlantGlycyrrhiza glabra
PlantGlycyrrhiza uralensis
PlantThymus vulgaris
PlantFoeniculum vulgare
PlantHumulus lupulus
PlantHumulus lupulus
PlantCamellia sinensis
PlantChelidonium majus
PlantCrocus sativus
PlantEucalyptus australiana

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
AC507779 nMDual specificity tyrosine-phosphorylation-regulated kinase 1AQ63470