Summary

IMPPAT Phytochemical identifier: IMPHY010758

Phytochemical name: Murranganon

Synonymous chemical names:
murpaniculol, murranganon

Chemical structure information

SMILES:
COc1ccc2c(c1C(C(=O)C(C)C)O)oc(=O)cc2

InChI:
InChI=1S/C15H16O5/c1-8(2)13(17)14(18)12-10(19-3)6-4-9-5-7-11(16)20-15(9)12/h4-8,14,18H,1-3H3

InChIKey:
QPXQLCIYAJVXPH-UHFFFAOYSA-N

DeepSMILES:
COcccccc6CC=O)CC)C)))O)))oc=O)cc6

Functional groups:
CC(C)=O, CO, c=O, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2ccccc2o1

Scaffold Graph/Node level:
OC1CCC2CCCCC2O1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Coumarins and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP Classifier Class: Simple coumarins

NP-Likeness score: 1.138

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Chemical structure download