Summary

IMPPAT Phytochemical identifier: IMPHY017465

Phytochemical name: 2H-Pyran-3(4H)-one, 6-ethenyldihydro-2,2,6-trimethyl-

Synonymous chemical names:
6-ethenyldihydro-2,2,6-trimethyl-2h-pyran-3(4h)-one

External chemical identifiers:
CID:549336, SureChEMBL:SCHEMBL20873447

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Chemical structure information

SMILES:
C=CC1(C)CCC(=O)C(O1)(C)C

InChI:
InChI=1S/C10H16O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5H,1,6-7H2,2-4H3

InChIKey:
ATQPZCOAQSYTPR-UHFFFAOYSA-N

DeepSMILES:
C=CCC)CCC=O)CO6)C)C

Functional groups:
C=CC, CC(C)=O, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCOC1

Scaffold Graph/Node level:
OC1CCCOC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.946

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Chemical structure download