Summary

IMPPAT Phytochemical identifier: IMPHY006977

Phytochemical name: Diosphenol

Synonymous chemical names:
2-hydroxy piperitone, 2-hydroxy-piperitone, 2-hydroxypiperitone, 4-hydroxy piperitone, buccocamphor, diosphenol

External chemical identifiers:
CID:79023, ChEBI:4632, FDASRS:4221SIG7EK, SureChEMBL:SCHEMBL873797

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Chemical structure information

SMILES:
CC(C1CCC(=C(C1=O)O)C)C

InChI:
InChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6,8,11H,4-5H2,1-3H3

InChIKey:
QSIMLPCPCXVYDD-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=CC6=O))O))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCCC1

Scaffold Graph/Node level:
OC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 1.926

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Chemical structure download