Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID010006

Phytochemical name: Chrysanthenyl isovalerate

Synonymous chemical names:
chrysanthenyl isovalerate

External chemical identifiers:
CID:CID_529750

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Chemical structure information

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

InChI:
InChI=1S/C15H24O2/c1-9(2)8-12(16)17-14-11-7-6-10(3)13(14)15(11,4)5/h6,9,11,13-14H,7-8H2,1-5H3

InChIKey:
VCFDIPBWQNPUTA-UHFFFAOYSA-N

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

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

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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: 2.302

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Chemical structure download