Summary

IMPPAT Phytochemical identifier: IMPHY013976

Phytochemical name: Zizaene

Synonymous chemical names:
khusimene=khusene, zizaene

External chemical identifiers:
CID:527247

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Chemical structure information

SMILES:
CC1CCC2C31CCC(C3)C(C2=C)(C)C

InChI:
InChI=1S/C15H24/c1-10-5-6-13-11(2)14(3,4)12-7-8-15(10,13)9-12/h10,12-13H,2,5-9H2,1,3-4H3

InChIKey:
VBZRHXLPRWBPEH-UHFFFAOYSA-N

DeepSMILES:
CCCCCC5CCCC5)CC7=C))C)C

Functional groups:
C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC2CCC3(CCCC13)C2

Scaffold Graph/Node level:
CC1CC2CCC3(CCCC13)C2

Scaffold Graph level:
CC1CC2CCC3(CCCC13)C2

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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: 3.313

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Chemical structure download