Summary

IMPPAT Phytochemical identifier: IMPHY015966

Phytochemical name: 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane-1-carbaldehyde

Synonymous chemical names:
trans-chrysanthemal

External chemical identifiers:
CID:579152, SureChEMBL:SCHEMBL5160236

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Chemical structure information

SMILES:
O=CC1C(C1(C)C)C=C(C)C

InChI:
InChI=1S/C10H16O/c1-7(2)5-8-9(6-11)10(8,3)4/h5-6,8-9H,1-4H3

InChIKey:
NQLKPDBZZUIQGM-UHFFFAOYSA-N

DeepSMILES:
O=CCCC3C)C))C=CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC1

Scaffold Graph/Node level:
C1CC1

Scaffold Graph level:
C1CC1

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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: Irregular monoterpenoids

NP-Likeness score: 2.154

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Chemical structure download