Summary

IMPPAT Phytochemical identifier: IMPHY015565

Phytochemical name: cis-Chrysanthenyl propionate

Synonymous chemical names:
cis-chrysanthenyl propionate

External chemical identifiers:
CID:529752

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Chemical structure information

SMILES:
CCC(=O)OC1C2CC=C(C1C2(C)C)C

InChI:
InChI=1S/C13H20O2/c1-5-10(14)15-12-9-7-6-8(2)11(12)13(9,3)4/h6,9,11-12H,5,7H2,1-4H3

InChIKey:
IRFLZVJYCZYXNP-UHFFFAOYSA-N

DeepSMILES:
CCC=O)OCCCC=CC6C6C)C)))C

Functional groups:
CC=C(C)C, COC(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: 2.431

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Chemical structure download