Summary

IMPPAT Phytochemical identifier: IMPHY016664

Phytochemical name: Furanoeudesma-1,3-diene

Synonymous chemical names:
furanoeudesma-1,3-diene

External chemical identifiers:
CID:643237

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Chemical structure information

SMILES:
CC1=CC=C[C@]2([C@H]1Cc1c(C2)occ1C)C

InChI:
InChI=1S/C15H18O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h4-6,9,13H,7-8H2,1-3H3/t13-,15+/m0/s1

InChIKey:
AUSAHAHDEVYCOC-DZGCQCFKSA-N

DeepSMILES:
CC=CC=C[C@][C@H]6CccC6)occ5C))))))))C

Functional groups:
CC1=CC=CCC1, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2Cc3ccoc3CC2C=C1

Scaffold Graph/Node level:
C1CCC2CC3OCCC3CC2C1

Scaffold Graph level:
C1CCC2CC3CCCC3CC2C1

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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: Eudesmane sesquiterpenoids

NP-Likeness score: 3.05

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Chemical structure download