Summary

IMPPAT Phytochemical identifier: IMPHY010006

Phytochemical name: Jaceidin 7-rhamnoside

Synonymous chemical names:
jaceidin 7-rhamnoside, jaceidin-7-rhamnoside

External chemical identifiers:
CID:44259820

---

Chemical structure information

SMILES:
COc1c(O[C@@H]2OC(C)[C@@H]([C@@H](C2O)O)O)cc2c(c1O)c(=O)c(c(o2)c1ccc(c(c1)OC)O)OC

InChI:
InChI=1S/C24H26O12/c1-9-16(26)19(29)20(30)24(34-9)36-14-8-13-15(17(27)22(14)32-3)18(28)23(33-4)21(35-13)10-5-6-11(25)12(7-10)31-2/h5-9,16,19-20,24-27,29-30H,1-4H3/t9?,16-,19-,20?,24-/m0/s1

InChIKey:
YZUPYJKFJGOCCI-GGPSYJJVSA-N

DeepSMILES:
COccO[C@@H]OCC)[C@@H][C@@H]C6O))O))O))))))cccc6O))c=O)cco6)cccccc6)OC)))O))))))OC

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2cc(OC3CCCCO3)ccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CC(OC3CCCCO3)CCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CC(CC3CCCCC3)CCC12

---

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: 1.908

---

Chemical structure download