Nootkatin

Nootkatin
Names
	IUPAC name 2-hydroxy-5-(3-methylbut-2-enyl)-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
	Other names NSC 43339; NSC 403527;
Identifiers
CAS Number	4431-03-2 ;
3D model (JSmol)	Interactive image;
ChEMBL	ChEMBL1700891;
ChemSpider	208608;
PubChem CID	238797;
CompTox Dashboard (EPA)	DTXSID10196125;
	InChI InChI=1S/C15H20O2/c1-10(2)5-6-12-7-8-14(16)15(17)9-13(12)11(3)4/h5,7-9,11H,6H2,1-4H3,(H,16,17) Key: MNMNTZYOZZLKSV-UHFFFAOYSA-N;
	SMILES CC(C)C1=CC(=O)C(=CC=C1CC=C(C)C)O;
Properties
Chemical formula	C15H20O2
Molar mass	232.323 g·mol−1
Density	g/cm3
Melting point	95 °C (203 °F; 368 K)
Hazards
Flash point	206 °C
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Nootkatin is a naturally occurring organic compound classified as a sesquiterpenoid with the molecular formula C₁₅H₂₀O₂. The compound belongs to the nootkatone family of natural products derived from grapefruit and other citrus sources, distinguished by its special structure featuring multiple double bonds, cycloheptatriene ring, and a ketone functional group. Nootkatin was initially isolated in 1952 from the steam-volative oil of the heartwood of yellow cedar by Carlsson et al.