Summary

IMPPAT Phytochemical identifier: IMPHY008192

Phytochemical name: Furanodiene

Synonymous chemical names:
furanodiene, furanodiene d, isofuranodiene

External chemical identifiers:
CID:636458, ChEMBL:CHEMBL324514, ZINC:ZINC000006072098, SureChEMBL:SCHEMBL22491603, MolPort-035-706-241

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Chemical structure information

SMILES:
C/C/1=CCc2c(C/C(=C/CC1)/C)occ2C

InChI:
InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+

InChIKey:
VMDXHYHOJPKFEK-IAVOFVOCSA-N

DeepSMILES:
C/C=CCccC/C=C/CC%10)))/C)))occ5C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCc2ccoc2CC=CCC1

Scaffold Graph/Node level:
C1CCCCC2OCCC2CCC1

Scaffold Graph level:
C1CCCCC2CCCC2CCC1

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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: 2.631

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Chemical structure download