Summary

IMPPAT Phytochemical identifier: IMPHY010640

Phytochemical name: Eudesmol

Synonymous chemical names:
eudesmol

Chemical structure information

SMILES:
C[C@@H]1CCC[C@]2([C@H]1C[C@@H](CC2)C(O)(C)C)C

InChI:
InChI=1S/C15H28O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h11-13,16H,5-10H2,1-4H3/t11-,12-,13+,15-/m1/s1

InChIKey:
YJHVMPKSUPGGPZ-GUIRCDHDSA-N

DeepSMILES:
C[C@@H]CCC[C@][C@H]6C[C@@H]CC6))CO)C)C)))))C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CCCCC2C1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: 2.633

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Chemical structure download