Summary

IMPPAT Phytochemical identifier: IMPHY006475

Phytochemical name: 13-nor-Eudesm-5-en-11-one

Synonymous chemical names:
13-nor-eudesm-5-en-11-one

External chemical identifiers:
CID:6428322

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Chemical structure information

SMILES:
CC(=O)C1CC[C@]2(C(=C1)[C@H](C)CCC2)C

InChI:
InChI=1S/C14H22O/c1-10-5-4-7-14(3)8-6-12(11(2)15)9-13(10)14/h9-10,12H,4-8H2,1-3H3/t10-,12?,14+/m1/s1

InChIKey:
SEPLFXIHUVTSIX-HDDSUISISA-N

DeepSMILES:
CC=O)CCC[C@]C=C6)[C@H]C)CCC6)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2CCC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eudesmane sesquiterpenoids

NP-Likeness score: 2.143

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Chemical structure download