Summary

IMPPAT Phytochemical identifier: IMPHY015648

Phytochemical name: (E)-Nuciferyl acetate

Synonymous chemical names:
(e)-nuciferyl acetate, n-nuciferyl acetate

External chemical identifiers:
CID:6428427

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Chemical structure information

SMILES:
CC(=O)OC/C(=C/CCCCc1ccc(cc1)C)/C

InChI:
InChI=1S/C17H24O2/c1-14-9-11-17(12-10-14)8-6-4-5-7-15(2)13-19-16(3)18/h7,9-12H,4-6,8,13H2,1-3H3/b15-7+

InChIKey:
BWLPFSJVSUPCNH-VIZOYTHASA-N

DeepSMILES:
CC=O)OC/C=C/CCCCcccccc6))C))))))))))/C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohol esters

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Bisabolane sesquiterpenoids

NP-Likeness score: 1.047

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Chemical structure download