Summary

IMPPAT Phytochemical identifier: IMPHY017635

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

Synonymous chemical names:
ziza-6(13-en-12-yl methyl ether

External chemical identifiers:
CID:6429270

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Chemical structure information

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

InChI:
InChI=1S/C16H26O/c1-11-14-6-5-13(10-17-4)16(14)8-7-12(9-16)15(11,2)3/h12-14H,1,5-10H2,2-4H3/t12-,13-,14?,16+/m1/s1

InChIKey:
KPAXHRFTWMHQDO-UNCXVQOASA-N

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

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

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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: 3.17

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Chemical structure download