Summary

IMPPAT Phytochemical identifier: IMPHY013012

Phytochemical name: Flavoplatycoside

Synonymous chemical names:
flavoplatycoside

External chemical identifiers:
CID:10416329, ZINC:ZINC000255260517

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Chemical structure information

SMILES:
O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)c3c(c2)O[C@@H]([C@H](C3=O)O)c2ccc(c(c2)O)O)O[C@@H]([C@H]1O)CO[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O

InChI:
InChI=1S/C27H32O16/c1-8-17(31)20(34)23(37)26(40-8)39-7-15-18(32)21(35)24(38)27(43-15)41-10-5-13(30)16-14(6-10)42-25(22(36)19(16)33)9-2-3-11(28)12(29)4-9/h2-6,8,15,17-18,20-32,34-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1

InChIKey:
QCSHVGOWSCMHAW-BXXNJPBWSA-N

DeepSMILES:
O[C@@H][C@@H]O)[C@H]OcccO)ccc6)O[C@@H][C@H]C6=O))O))cccccc6)O))O)))))))))))))O[C@@H][C@H]6O))CO[C@@H]O[C@@H]C)[C@@H][C@H][C@H]6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2cc(OC3CCCC(COC4CCCCO4)O3)ccc21

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: Dihydroflavonols

NP-Likeness score: 2.202

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Chemical structure download