Summary

IMPPAT Phytochemical identifier: IMPHY010826

Phytochemical name: Sylvone

Synonymous chemical names:
sylvone

Chemical structure information

SMILES:
OC[C@H]1[C@@H](CO[C@H]1c1ccc(c(c1)OC)OC)C(=O)c1cc(OC)c(c(c1)OC)OC

InChI:
InChI=1S/C23H28O8/c1-26-17-7-6-13(8-18(17)27-2)22-15(11-24)16(12-31-22)21(25)14-9-19(28-3)23(30-5)20(10-14)29-4/h6-10,15-16,22,24H,11-12H2,1-5H3/t15-,16+,22-/m0/s1

InChIKey:
QLEYCCSZYVKRKW-DMPWYTOCSA-N

DeepSMILES:
OC[C@H][C@@H]CO[C@H]5cccccc6)OC)))OC)))))))))C=O)cccOC))ccc6)OC)))OC

Functional groups:
CO, COC, cC(C)=O, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(c1ccccc1)C1COC(c2ccccc2)C1

Scaffold Graph/Node level:
OC(C1CCCCC1)C1COC(C2CCCCC2)C1

Scaffold Graph level:
CC(C1CCCCC1)C1CCC(C2CCCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lignans, neolignans and related compounds

ClassyFire Class: Furanoid lignans

ClassyFire Subclass: Tetrahydrofuran lignans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Lignans

NP Classifier Class: Furanoid lignans, Neolignans

NP-Likeness score: 1.034

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Chemical structure download