Summary

IMPPAT Phytochemical identifier: IMPHY012983

Phytochemical name: (7R)-7-Hydroxylariciresinol

Synonymous chemical names:
7'r-7'-hydroxy-lariciresinol

External chemical identifiers:
CID:10022393, ChEMBL:CHEMBL1668112, ChEBI:70195, ZINC:ZINC000034096579

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Chemical structure information

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

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

InChIKey:
MWQRAOGWLXTMIC-WZBLMQSHSA-N

DeepSMILES:
OC[C@@H][C@H]OC[C@@H]5[C@H]cccccc6)OC)))O)))))O)))))cccccc6)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: 1.475

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Chemical structure download