Summary

IMPPAT Phytochemical identifier: IMPHY005845

Phytochemical name: Myricetin-3-O-rhamnoside

Synonymous chemical names:
myricetin-3-o-rhamnoside

External chemical identifiers:
CID:56843093

---

Chemical structure information

SMILES:
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1cc(O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)c(c(c1)O)O

InChI:
InChI=1S/C21H20O12/c1-6-14(25)17(28)19(30)21(31-6)33-12-3-7(2-10(24)15(12)26)20-18(29)16(27)13-9(23)4-8(22)5-11(13)32-20/h2-6,14,17,19,21-26,28-30H,1H3/t6-,14-,17+,19+,21-/m0/s1

InChIKey:
KPKDFSLIRPVPJF-YDOQJWOYSA-N

DeepSMILES:
OcccO)ccc6)occc6=O))O))cccO[C@@H]O[C@@H]C)[C@@H][C@H][C@H]6O))O))O))))))ccc6)O))O

Functional groups:
CO, c=O, cO, cO[C@@H](C)OC, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2cccc(OC3CCCCO3)c2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCC(OC3CCCCO3)C2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCC(CC3CCCCC3)C2)CC2CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavonoid glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 2.314

---

Chemical structure download