Summary

IMPPAT Phytochemical identifier: IMPHY006325

Phytochemical name: Myrtenal

Synonymous chemical names:
d-myrtenal, myrtenal

External chemical identifiers:
CID:61130, SureChEMBL:SCHEMBL228374

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Chemical structure information

SMILES:
O=CC1=CCC2CC1C2(C)C

InChI:
InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H3

InChIKey:
KMRMUZKLFIEVAO-UHFFFAOYSA-N

DeepSMILES:
O=CC=CCCCC6C4C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC(C1)C2

Scaffold Graph/Node level:
C1CC2CC(C1)C2

Scaffold Graph level:
C1CC2CC(C1)C2

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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: Pinane monoterpenoids

NP-Likeness score: 2.532

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Chemical structure download