NOOTKATONE, (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C15H22O
Molecular Weight	218.3346
Optical Activity	( + / - )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

C[C@@H]1CC(=O)C=C2CC[C@H](C[C@@]12C)C(C)=C

InChI

InChIKey=WTOYNNBCKUYIKC-JMSVASOKSA-N

InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1

HIDE SMILES / InChI

Approval Year

PubMed

Show entries

Title	Date	PubMed
Nootkatone is a repellent for Formosan subterranean termite (Coptotermes formosanus).	2001 Mar	11441443
Aroma composition changes in early season grapefruit juice produced from thermal concentration.	2002 Feb 13	11829649
Toxicity and behavioral effects of nootkatone, 1,10-dihydronootkatone, and tetrahydronootkatone to the formosan subterranean termite (Isoptera: Rhinotermitidae).	2004 Feb	14998133
Volatile constituents of redblush grapefruit (Citrus paradisi) and pummelo (Citrus grandis) peel essential oils from Kenya.	2005 Dec 14	16332132
Bioconversion of (+)-valencene in submerged cultures of the ascomycete Chaetomium globosum.	2005 Jun	15602686

Showing 1 to 5 of 13 entries

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Patents

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Name

Type

Language

NOOTKATONE, (±)-

Common Name

English

(±)-NOOTKATONE

Preferred Name

English

2(3H)-NAPHTHALENONE, 4,4A,5,6,7,8-HEXAHYDRO-4,4A-DIMETHYL-6-(1-METHYLETHENYL)-, (4R,4AS,6R)-REL

Systematic Name

English

(4RS,4ASR,6RS)-4,4A,5,6,7,8-HEXAHYDRO-4,4A-DIMETHYL-6-(1-METHYLETHENYL)-2(3H)-NAPHTHALENONE

Systematic Name

English

7.BETA.H-EREMOPHILA-1(10),11-DIEN-2-ONE -

Common Name

English

Showing 1 to 5 of 6 entries

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Code System

Code

Type

Description

MERCK INDEX

m8040

PRIMARY

Merck Index

FDA UNII

3K3OKV2A5A

PRIMARY

CAS

28834-25-5

PRIMARY

Showing 1 to 3 of 3 entries

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SUBSTANCE RECORD


					3K3OKV2A5A

NOOTKATONE, (±)-