Summary

IMPPAT Phytochemical identifier: IMPHY009213

Phytochemical name: Zerumbodienone

Synonymous chemical names:
zerumbodienone

External chemical identifiers:
CID:5463722

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Chemical structure information

SMILES:
CC1CC/C=C(/C)C(=O)/C=C/C(CC1)(C)C

InChI:
InChI=1S/C15H24O/c1-12-6-5-7-13(2)14(16)9-11-15(3,4)10-8-12/h7,9,11-12H,5-6,8,10H2,1-4H3/b11-9+,13-7-

InChIKey:
CSYLYPZVYTWHKT-JNLWHAGFSA-N

DeepSMILES:
CCCC/C=C/C)C=O)/C=C/CCC%11))C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCCCCCCC=C1

Scaffold Graph/Node level:
OC1CCCCCCCCCC1

Scaffold Graph level:
CC1CCCCCCCCCC1

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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: Humulane sesquiterpenoids

NP-Likeness score: 2.135

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Chemical structure download