Summary

IMPPAT Phytochemical identifier: IMPHY012037

Phytochemical name: Chrysanthemic acid

Synonymous chemical names:
chrysanthemic acid

External chemical identifiers:
CID:2743, ChEMBL:CHEMBL1437285, ChEBI:3680, SureChEMBL:SCHEMBL62874, MolPort-001-785-569

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Chemical structure information

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

InChI:
InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)

InChIKey:
XLOPRKKSAJMMEW-UHFFFAOYSA-N

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

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

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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: 1.728

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Chemical structure download