Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004136

Phytochemical name: Curzerene

Synonymous chemical names:
curzerene, Isofuranogermacrene, curzerene d, isofuranogermacrene, Curzerene

External chemical identifiers:
CID:CID_572766

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Chemical structure information

SMILES:
C=CC1(C)Cc2occ(c2CC1C(=C)C)C

InChI:
InChI=1S/C15H20O/c1-6-15(5)8-14-12(11(4)9-16-14)7-13(15)10(2)3/h6,9,13H,1-2,7-8H2,3-5H3

InChIKey:
HICAMHOOTMOHPA-UHFFFAOYSA-N

DeepSMILES:
C=CCC)Ccoccc5CC9C=C)C)))))C

Functional groups:
C=CC, coc, C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2c(o1)CCCC2

Scaffold Graph/Node level:
C1CCC2OCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Elemane sesquiterpenoids

NP-Likeness score: 2.922

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Chemical structure download