Summary

IMPPAT Phytochemical identifier: IMPHY009918

Phytochemical name: Chrysoeriol 7-rutinoside

Synonymous chemical names:
chrysoeriol 7-rutinoside, chrysoeriol-7-rutinoside

External chemical identifiers:
CID:14374725, ChEBI:176222

---

Chemical structure information

SMILES:
COc1cc(ccc1O)c1cc(=O)c2c(o1)cc(cc2O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O

InChI:
InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-16(42-18(20)7-12)11-3-4-13(29)17(5-11)38-2/h3-8,10,19,21-30,32-37H,9H2,1-2H3

InChIKey:
FVWCQCCVDNGNPX-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))))ccc=O)cco6)cccc6O)))OCOCCOCOCC)CCC6O))O))O)))))))CCC6O))O))O

Functional groups:
CO, COC(C)OC, c=O, cO, cOC, cOC(C)OC, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2cc(OC3CCCC(COC4CCCCO4)O3)ccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CC(OC3CCCC(COC4CCCCO4)O3)CCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CC(CC3CCCC(CCC4CCCCC4)C3)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: Flavones

NP-Likeness score: 1.789

---

Chemical structure download