Summary

IMPPAT Phytochemical identifier: IMPHY017603

Phytochemical name: Ziza-6(13)-en-12-yl acetate

Synonymous chemical names:
ziza-6(13)-en-12-yl acetate

External chemical identifiers:
CID:6428406

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Chemical structure information

SMILES:
CC(=O)OC[C@H]1CCC2[C@@]31CC[C@H](C3)C(C2=C)(C)C

InChI:
InChI=1S/C17H26O2/c1-11-15-6-5-14(10-19-12(2)18)17(15)8-7-13(9-17)16(11,3)4/h13-15H,1,5-10H2,2-4H3/t13-,14-,15?,17+/m1/s1

InChIKey:
BSDFLYIGEBAWIU-KUPILIRXSA-N

DeepSMILES:
CC=O)OC[C@H]CCC[C@]5CC[C@H]C5)CC7=C))C)C

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

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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: 3.016

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Chemical structure download