CAS 1196-01-6 | Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S,5S)- | CAS Number 1196-01-6

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1196-01-6 | Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S,5S)-

CAS No: 1196-01-6 Catalog No: AG000P8X MDL No:MFCD00065445

Product Description

Catalog Number:

AG000P8X

Chemical Name:

Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S,5S)-

CAS Number:

1196-01-6

Molecular Formula:

C10H14O

Molecular Weight:

150.2176

MDL Number:

MFCD00065445

IUPAC Name:

(1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one

InChI:

InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m0/s1

InChI Key:

DCSCXTJOXBUFGB-JGVFFNPUSA-N

SMILES:

CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C

UNII:

2XP0J7754U

NSC Number:

6831

FEMA Number:

4216

Properties

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

150.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

150.221g/mol

Monoisotopic Mass:

150.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

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Volatile organic compounds from Centaurium erythraea Rafn (Croatia) and the antimicrobial potential of its essential oil.	Molecules (Basel, Switzerland) 20120220
Semiochemical emission from individual galleries of the southern pine beetle, (Coleoptera: Curculionidae: Scolytinae), attacking standing trees.	Journal of economic entomology 20120201
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Myrtenal inhibits acetylcholinesterase, a known Alzheimer target.	The Journal of pharmacy and pharmacology 20111001
Test of nonhost angiosperm volatiles and verbenone to protect trap trees for Sirex noctilio (Hymenoptera: Siricidae) from attacks by bark beetles (Coleoptera: Scolytidae) in the northeastern United States.	Journal of economic entomology 20101201
Raman optical activity: a powerful technique to investigate essential oil components.	Natural product communications 20100901
Antibacterial activity of the essential oil from Rosmarinus officinalis and its major components against oral pathogens.	Zeitschrift fur Naturforschung. C, Journal of biosciences 20100101
Biotransformation of progesterone by cultured cells of Marchantia polymorpha.	Zeitschrift fur Naturforschung. C, Journal of biosciences 20100101
Efficacy of verbenone for protecting ponderosa pine stands from western pine beetle (Coleoptera: Curculionidae: Scolytinae) attack in California.	Journal of economic entomology 20091001
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Nonhost angiosperm volatiles and verbenone disrupt response of western pine beetle, Dendroctonus brevicomis (Coleoptera: Scolytidae), to attractant-baited traps.	Journal of economic entomology 20051201
Chemical composition and antibacterial activity of the essential oil and the gum of Pistacia lentiscus Var. chia.	Journal of agricultural and food chemistry 20051005
A test of high-dose verbenone for stand-level protection of lodgepole and whitebark pine from mountain pine beetle (Coleoptera: Curculionidae: Scolytinae) attacks.	Journal of economic entomology 20051001
Feeding response to host and nonhost compounds by males and females of the spruce bark beetle Ips typographus in a tunneling microassay.	Journal of chemical ecology 20050401
Formation of trans-verbenol and verbenone from alpha-pinene catalysed by immobilised Picea abies cells.	Bioscience, biotechnology, and biochemistry 20050201
Stereoselective Rh-catalyzed hydrogenation of cyclobutyl chiral enamides: double stereodifferentiation vs catalyst-controlled diastereoselection.	The Journal of organic chemistry 20041112
High-performance liquid chromatographic method for the determination of (-)-verbenone 10-hydroxylation catalyzed by rat liver microsomes.	Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20030815
Roles of human CYP2A6 and 2B6 and rat CYP2C11 and 2B1 in the 10-hydroxylation of (-)-verbenone by liver microsomes.	Drug metabolism and disposition: the biological fate of chemicals 20030801
Transformation of alpha-pinene using Picea abies suspension culture.	Journal of natural products 20030301
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Preparative chiral liquid chromatography for enantiomeric separation of pheromones.	Journal of chemical ecology 20010301