Summary

IMPPAT Phytochemical identifier: IMPHY010929

Phytochemical name: luteolin-7-O-rutinoside

Synonymous chemical names:
luteolin 7-o-rutinoside, luteolin-7-o-rutinoside

External chemical identifiers:
CID:14032966

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Chemical structure information

SMILES:
OC[C@@H]1O[C@H](OC[C@H]2OC(Oc3cc(O)c4c(c3)oc(cc4=O)c3ccc(c(c3)O)O)[C@@H]([C@H]([C@@H]2O)O)O)[C@H](C([C@@H]1O)O)O

InChI:
InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-8-18-21(34)23(36)25(38)27(43-18)40-10-4-13(31)19-14(32)6-15(41-16(19)5-10)9-1-2-11(29)12(30)3-9/h1-6,17-18,20-31,33-38H,7-8H2/t17-,18+,20+,21+,22?,23-,24-,25+,26-,27?/m0/s1

InChIKey:
LDTDRTSKWGQBAA-XPKAMZHISA-N

DeepSMILES:
OC[C@@H]O[C@H]OC[C@H]OCOcccO)ccc6)occc6=O)))cccccc6)O))O)))))))))))))[C@@H][C@H][C@@H]6O))O))O)))))))[C@H]C[C@@H]6O))O))O

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

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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

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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: 1.718

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Chemical structure download