Summary

IMPPAT Phytochemical identifier: IMPHY005946

Phytochemical name: (5beta,7beta,10beta)-3,11-Eudesmadien-2-one

Synonymous chemical names:
3,7(11)-eudesmadien-2-one

External chemical identifiers:
CID:565648

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Chemical structure information

SMILES:
O=C1C=C(C)C2C(C1)(C)CCC(C2)C(=C)C

InChI:
InChI=1S/C15H22O/c1-10(2)12-5-6-15(4)9-13(16)7-11(3)14(15)8-12/h7,12,14H,1,5-6,8-9H2,2-4H3

InChIKey:
IVZATFCVCDHOLU-UHFFFAOYSA-N

DeepSMILES:
O=CC=CC)CCC6)C)CCCC6)C=C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2CCCCC2C1

Scaffold Graph/Node level:
OC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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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: 3.034

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Chemical structure download