Summary

IMPPAT Phytochemical identifier: IMPHY005830

Phytochemical name: Eudesmane

Synonymous chemical names:
eudesmane

External chemical identifiers:
CID:193299, ChEBI:36522, SureChEMBL:SCHEMBL333147

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Chemical structure information

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

InChI:
InChI=1S/C15H28/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h11-14H,5-10H2,1-4H3/t12-,13-,14+,15-/m1/s1

InChIKey:
DYEQPYSFRWUNNV-APIJFGDWSA-N

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

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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, Isodaucane sesquiterpenoids

NP-Likeness score: 2.399

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Chemical structure download