Summary

IMPPAT Phytochemical identifier: IMPHY003496

Phytochemical name: Lariciresinol

Synonymous chemical names:
(+)-lariciresinol, (+)lariciresinol, lariciresinol

External chemical identifiers:
CID:332427, ChEMBL:CHEMBL518421, ChEBI:67246, ZINC:ZINC000004098820, FDASRS:73XCE5OZB0, SureChEMBL:SCHEMBL121881, MolPort-039-052-481

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Chemical structure information

SMILES:
OC[C@H]1[C@H](CO[C@@H]1c1ccc(c(c1)OC)O)Cc1ccc(c(c1)OC)O

InChI:
InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1

InChIKey:
MHXCIKYXNYCMHY-AUSJPIAWSA-N

DeepSMILES:
OC[C@H][C@H]CO[C@@H]5cccccc6)OC)))O))))))))Ccccccc6)OC)))O

Functional groups:
CO, COC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CC2COC(c3ccccc3)C2)cc1

Scaffold Graph/Node level:
C1CCC(CC2COC(C3CCCCC3)C2)CC1

Scaffold Graph level:
C1CCC(CC2CCC(C3CCCCC3)C2)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: 1.591

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Chemical structure download