Summary

IMPPAT Phytochemical identifier: IMPHY000014

Phytochemical name: Lintetralin

Synonymous chemical names:
lintetralin

External chemical identifiers:
CID:11361584, ZINC:ZINC000014435178

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Chemical structure information

SMILES:
COC[C@H]1Cc2cc(OC)c(cc2[C@H]([C@@H]1COC)c1ccc2c(c1)OCO2)OC

InChI:
InChI=1S/C23H28O6/c1-24-11-16-7-15-9-20(26-3)21(27-4)10-17(15)23(18(16)12-25-2)14-5-6-19-22(8-14)29-13-28-19/h5-6,8-10,16,18,23H,7,11-13H2,1-4H3/t16-,18-,23-/m1/s1

InChIKey:
WBJMMHMEDGPCCD-JTUHZDRVSA-N

DeepSMILES:
COC[C@H]CcccOC))ccc6[C@H][C@@H]%10COC))))cccccc6)OCO5)))))))))))OC

Functional groups:
COC, c1cOCO1, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCCC2c1ccc2c(c1)OCO2

Scaffold Graph/Node level:
C1CCC2C(C1)CCCC2C1CCC2OCOC2C1

Scaffold Graph level:
C1CC2CCC(C3CCCC4CCCCC43)CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lignans, neolignans and related compounds

ClassyFire Class: Aryltetralin lignans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Lignans

NP Classifier Class: Arylnaphthalene and aryltetralin lignans

NP-Likeness score: 1.256

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Chemical structure download