Summary

IMPPAT Phytochemical identifier: IMPHY008410

Phytochemical name: Lirionol

Synonymous chemical names:
lirionol

External chemical identifiers:
CID:90474712

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Chemical structure information

SMILES:
OCC1C2Cc3c(C1c1c(C2=O)cc(c(c1OC)O)OC)cc(c(c3OC)O)OC

InChI:
InChI=1S/C22H24O8/c1-27-14-6-9-11(21(29-3)19(14)25)5-10-13(8-23)16(9)17-12(18(10)24)7-15(28-2)20(26)22(17)30-4/h6-7,10,13,16,23,25-26H,5,8H2,1-4H3

InChIKey:
DWQAZCRWFAOKDV-UHFFFAOYSA-N

DeepSMILES:
OCCCCccC6ccC8=O))cccc6OC)))O))OC)))))))cccc6OC)))O))OC

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2C2CC1Cc1ccccc12

Scaffold Graph/Node level:
OC1C2CC3CCCCC3C(C2)C2CCCCC12

Scaffold Graph level:
CC1C2CC3CCCCC3C(C2)C2CCCCC12

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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: Neolignans

NP-Likeness score: 1.555

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Chemical structure download