Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001006

Phytochemical name: alpha-Cyperone

Synonymous chemical names:
(+)-alpha-cyperone, Cyperone, (+)alpha-, α-cyperone, alpha-Cyperone, alpha-cyperone, Cyperone,alpha-

External chemical identifiers:
CID:CID_6452086, ChEMBL:CHEMBL1939885, ZINC:ZINC000001708728, FDASRS:ZL24SG1C2D, SureChEMBL:SCHEMBL8170833, MolPort-020-005-765

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Chemical structure information

SMILES:
CC(=C)[C@@H]1CC[C@@]2(C(=C(C)C(=O)CC2)C1)C

InChI:
InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3/t12-,15+/m1/s1

InChIKey:
KUFXJZXMWHNCEH-DOMZBBRYSA-N

DeepSMILES:
CC=C)[C@@H]CC[C@@]C=CC)C=O)CC6))))C6))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2CCCCC2CC1

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: 2.889

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Chemical structure download