Summary

IMPPAT Phytochemical identifier: IMPHY000915

Phytochemical name: Chrysanthenone

Synonymous chemical names:
chrysanthenone

External chemical identifiers:
CID:442463, ChEBI:3681, SureChEMBL:SCHEMBL2384039

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Chemical structure information

SMILES:
CC1=CCC2C(=O)C1C2(C)C

InChI:
InChI=1S/C10H14O/c1-6-4-5-7-9(11)8(6)10(7,2)3/h4,7-8H,5H2,1-3H3

InChIKey:
IECBDTGWSQNQID-UHFFFAOYSA-N

DeepSMILES:
CC=CCCC=O)C6C4C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C2C=CCC1C2

Scaffold Graph/Node level:
OC1C2CCCC1C2

Scaffold Graph level:
CC1C2CCCC1C2

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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: 2.94

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Chemical structure download