Summary

IMPPAT Phytochemical identifier: IMPHY016662

Phytochemical name: Furano-4(15)-eudesmen-1-one

Synonymous chemical names:
furano-4(15)-eudesmen-1-one

External chemical identifiers:
CID:91749467

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Chemical structure information

SMILES:
C=C1CCC(=O)[C@]2(C1CC1C(=COC1C2)C)C

InChI:
InChI=1S/C15H20O2/c1-9-4-5-14(16)15(3)7-13-11(6-12(9)15)10(2)8-17-13/h8,11-13H,1,4-7H2,2-3H3/t11?,12?,13?,15-/m1/s1

InChIKey:
VWLFWHISRMKWNE-CDKPOMLUSA-N

DeepSMILES:
C=CCCC=O)[C@]C6CCC=COC5C9))))C)))))C

Functional groups:
C=C(C)C, CC(C)=O, CC1=COCC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC(=O)C2CC3OC=CC3CC12

Scaffold Graph/Node level:
CC1CCC(O)C2CC3OCCC3CC12

Scaffold Graph level:
CC1CCC(C)C2CC3CCCC3CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eudesmane sesquiterpenoids

NP-Likeness score: 3.092

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Chemical structure download