Summary

IMPPAT Phytochemical identifier: IMPHY003789

Phytochemical name: Furanodienon

Synonymous chemical names:
furanodienone

External chemical identifiers:
CID:6442374, ChEMBL:CHEMBL509404

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Chemical structure information

SMILES:
C/C/1=C/C(=O)c2c(C/C(=CCC1)/C)occ2C

InChI:
InChI=1S/C15H18O2/c1-10-5-4-6-11(2)8-14-15(13(16)7-10)12(3)9-17-14/h6-7,9H,4-5,8H2,1-3H3/b10-7-,11-6-

InChIKey:
XVOHELPNOXGRBQ-LXQMTTSMSA-N

DeepSMILES:
C/C=C/C=O)ccC/C=CCC%10)))/C)))occ5C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCCC=CCc2occc21

Scaffold Graph/Node level:
OC1CCCCCCCC2OCCC12

Scaffold Graph level:
CC1CCCCCCCC2CCCC12

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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: 2.588

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Chemical structure download