Summary

IMPPAT Phytochemical identifier: IMPHY000311

Phytochemical name: Chrysanthemol

Synonymous chemical names:
chrysanthemol, chrysanthemol cis, chrysanthemyl alcohol, chrysanthenol(cis-)

External chemical identifiers:
CID:110685, ChEMBL:CHEMBL1318346, ChEBI:81217, SureChEMBL:SCHEMBL522961

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Chemical structure information

SMILES:
OCC1C(C1(C)C)C=C(C)C

InChI:
InChI=1S/C10H18O/c1-7(2)5-8-9(6-11)10(8,3)4/h5,8-9,11H,6H2,1-4H3

InChIKey:
HIPIENNKVJCMAP-UHFFFAOYSA-N

DeepSMILES:
OCCCC3C)C))C=CC)C

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

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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: Monocyclic monoterpenoids

NP-Likeness score: 2.228

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Chemical structure download