Summary

IMPPAT Phytochemical identifier: IMPHY010096

Phytochemical name: (6S,9E)-3,6,10-trimethyl-6,7,8,11-tetrahydro-4H-cyclodeca[b]furan-5-one

Synonymous chemical names:
furanogermenone

External chemical identifiers:
CID:13118284, ZINC:ZINC000006072099

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Chemical structure information

SMILES:
C/C/1=CCC[C@H](C)C(=O)Cc2c(C1)occ2C

InChI:
InChI=1S/C15H20O2/c1-10-5-4-6-11(2)14(16)8-13-12(3)9-17-15(13)7-10/h5,9,11H,4,6-8H2,1-3H3/b10-5+/t11-/m0/s1

InChIKey:
ZLESWHXADLWJPV-UAWPZABVSA-N

DeepSMILES:
C/C=CCC[C@H]C)C=O)CccC%10)occ5C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC=CCc2occc2C1

Scaffold Graph/Node level:
OC1CCCCCCC2OCCC2C1

Scaffold Graph level:
CC1CCCCCCC2CCCC2C1

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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: Germacrane sesquiterpenoids

NP-Likeness score: 2.414

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Chemical structure download