Summary

IMPPAT Phytochemical identifier: IMPHY008151

Phytochemical name: 4H-Furo[3,2-g][1]benzopyran-4,9(5H)-dione, 2,3,6,7-tetrahydro-3-methyl-6-(1-methylethyl)-

Synonymous chemical names:
dihydroscabequinone

External chemical identifiers:
CID:621732

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Chemical structure information

SMILES:
CC(C1COC2=C(C1)C(=O)C1=C(C2=O)OCC1C)C

InChI:
InChI=1S/C15H18O4/c1-7(2)9-4-10-12(16)11-8(3)5-18-15(11)13(17)14(10)19-6-9/h7-9H,4-6H2,1-3H3

InChIKey:
FCVVXPCXLOPFAF-UHFFFAOYSA-N

DeepSMILES:
CCCCOC=CC6)C=O)C=CC6=O))OCC5C))))))))))))C

Functional groups:
COC1=C(C)C(=O)C2=C(OCC2)C1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C2=C(OCCC2)C(=O)C2=C1CCO2

Scaffold Graph/Node level:
OC1C2CCCOC2C(O)C2OCCC12

Scaffold Graph level:
CC1C2CCCCC2C(C)C2CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Dihydrofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids

NP-Likeness score: 2.056

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Chemical structure download