Summary

IMPPAT Phytochemical identifier: IMPHY013601

Phytochemical name: Jusmicranthin

Synonymous chemical names:
jusmicranthin

External chemical identifiers:
CID:101041139

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Chemical structure information

SMILES:
O=C1OC(c2c1cc1ccc3c(c1c2c1ccc2c(c1)OCO2)OCO3)O

InChI:
InChI=1S/C20H12O7/c21-19-11-5-9-2-4-13-18(26-8-24-13)16(9)15(17(11)20(22)27-19)10-1-3-12-14(6-10)25-7-23-12/h1-6,20,22H,7-8H2

InChIKey:
RXFWNFQXBZITHO-UHFFFAOYSA-N

DeepSMILES:
O=COCcc5ccccccc6c%10cccccc6)OCO5))))))))))OCO5)))))))))))O

Functional groups:
O=C1ccC(O)O1, c1cOCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCc2c1cc1ccc3c(c1c2-c1ccc2c(c1)OCO2)OCO3

Scaffold Graph/Node level:
OC1OCC2C1CC1CCC3OCOC3C1C2C1CCC2OCOC2C1

Scaffold Graph level:
CC1CCC2C1CC1CCC3CCCC3C1C2C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lignans, neolignans and related compounds

ClassyFire Class: Arylnaphthalene lignans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Lignans

NP Classifier Class: Arylnaphthalene and aryltetralin lignans

NP-Likeness score: 1.291

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Chemical structure download