Phyto4Health

Narcissin

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL258394
PubChem: 5481663
IUPAC: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-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/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1
Standard InChI Key: UIDGLYUNOUKLBM-GEBJFKNCSA-N
SMILES: COc1cc(ccc1O)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: -1.38
Hydrogen bonds acceptors: 16
Hydrogen bonds donors: 9
Rotatable bonds: 7
Number of rings: 5
Molecular Weight: 624.17
Topological polar surface area: 255
Number of aromatic rings: 3
Fsp3: 0.464
Number of carbons: 28

Plant sources

Part of plant Plant name Ref.
FlowerCalendula officinalis
PlantGlycyrrhiza glabra
LeafGlycyrrhiza uralensis
PlantFoeniculum vulgare
PlantChelidonium majus
PlantEucalyptus australiana

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Others83.65 %Estrogen receptor alphaP03372
Others84.04 %Estrogen receptor alphaP03372