Summary

IMPPAT Phytochemical identifier: IMPHY006296

Phytochemical name: Liovil

Synonymous chemical names:
liovil

External chemical identifiers:
CID:59728533, SureChEMBL:SCHEMBL12427088

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Chemical structure information

SMILES:
COc1cc(ccc1O)C([C@H]1COC[C@@H]1C(c1ccc(c(c1)OC)O)O)O

InChI:
InChI=1S/C20H24O7/c1-25-17-7-11(3-5-15(17)21)19(23)13-9-27-10-14(13)20(24)12-4-6-16(22)18(8-12)26-2/h3-8,13-14,19-24H,9-10H2,1-2H3/t13-,14-,19?,20?/m0/s1

InChIKey:
YHYNYYXJMLXPRQ-NILVNCKXSA-N

DeepSMILES:
COcccccc6O))))C[C@H]COC[C@@H]5Ccccccc6)OC)))O)))))O)))))))O

Functional groups:
CO, COC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CC2COCC2Cc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(CC2COCC2CC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CC2CCCC2CC2CCCCC2)CC1

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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

NP-Likeness score: 0.629

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Chemical structure download