1-PHENYLHEXA-2,4-DIYNE-1-ONE

Structure

2D structure of 1-PHENYLHEXA-2,4-DIYNE-1-ONE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 10321

Names and identifiers

Name

1-PHENYLHEXA-2,4-DIYNE-1-ONE

IUPAC name

1-phenylhexa-2,4-diyn-1-one

SMILES

CC#CC#CC(=O)C1=CC=CC=C1

General information

Molecular formula

C12H8O

Molecular weight

168.20 g/mol

Monoisotopic mass

168.0575 Da

Classification

Pathway:
Superclass:
-
Class:
-
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Elymus repens (L.) Gould subsp. repens rhizome -
Leung, A. Y. and Foster, S. 1995. Encyclopedia of Common Natural Ingredients 2nd Ed. John Wiley & Sons, New York. 649 pp.