Summary

IMPPAT Phytochemical identifier: IMPHY004548

Phytochemical name: Epizizanone

Synonymous chemical names:
2-epizizanone, epi-zizanone, epizizanone, epizizanone,2-

External chemical identifiers:
CID:527192

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Chemical structure information

SMILES:
O=C1CC2C3(C1C)CCC(C3)C(C2=C)(C)C

InChI:
InChI=1S/C15H22O/c1-9-12-7-13(16)10(2)15(12)6-5-11(8-15)14(9,3)4/h10-12H,1,5-8H2,2-4H3

InChIKey:
RVQOGXCBZWSGSS-UHFFFAOYSA-N

DeepSMILES:
O=CCCCC5C))CCCC5)CC7=C))C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC2CCC3(CC(=O)CC13)C2

Scaffold Graph/Node level:
CC1CC2CCC3(CC(O)CC13)C2

Scaffold Graph level:
CC1CC2C(C)CC3CCC2(C1)C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Zizaane sesquiterpenoids

NP-Likeness score: 2.83

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Chemical structure download