Summary

IMPPAT Phytochemical identifier: IMPHY000614

Phytochemical name: beta-Cyperone

Synonymous chemical names:
beta-cyperone

External chemical identifiers:
CID:10889388, ZINC:ZINC000002561218

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Chemical structure information

SMILES:
CC(C1=CC2=C(C)C(=O)CC[C@@]2(CC1)C)C

InChI:
InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h9-10H,5-8H2,1-4H3/t15-/m0/s1

InChIKey:
NUIFDRMJKLJEJE-HNNXBMFYSA-N

DeepSMILES:
CCC=CC=CC)C=O)CC[C@@]6CC%10))C)))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C=CCCC2CC1

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: 2.406

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Chemical structure download