Summary

IMPPAT Phytochemical identifier: IMPHY007901

Phytochemical name: Dihydromilletenone methyl ether

Synonymous chemical names:
dihydromilletenone methyl ether

External chemical identifiers:
CID:15160712

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Chemical structure information

SMILES:
COc1ccc(c(c1)OC)C(=O)CC(c1ccc2c(c1)OCO2)OC

InChI:
InChI=1S/C19H20O6/c1-21-13-5-6-14(18(9-13)23-3)15(20)10-17(22-2)12-4-7-16-19(8-12)25-11-24-16/h4-9,17H,10-11H2,1-3H3

InChIKey:
DTXKPYYJPVZPRP-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)OC)))C=O)CCcccccc6)OCO5))))))))OC

Functional groups:
COC, c1cOCO1, cC(C)=O, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CCc1ccc2c(c1)OCO2)c1ccccc1

Scaffold Graph/Node level:
OC(CCC1CCC2OCOC2C1)C1CCCCC1

Scaffold Graph level:
CC(CCC1CCC2CCCC2C1)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 0.201

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Chemical structure download