Hexahydrofarnesyl acetone

CAT: 0804-HY-N3074-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-N3074-01Size:5 mg

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Description

Hexahydrofarnesyl acetone (6,10,14-Trimethyl-2-pentadecanone) is a oral active sesquiterpene with oral activity, exhibiting antibacterial, anti-inflammatory, and anticancer properties, and is used in pain relief research[1][2][3].

CAS Number

502-69-2

Product Name Alternative

6,10,14-Trimethyl-2-pentadecanone

UNSPSC

12352211

Hazard Statement

H410

Target

Antibiotic; Bacterial

Type

Natural Products

Related Pathways

Anti-infection

Applications

COVID-19-immunoregulation

Field of Research

Cancer; Infection; Inflammation/Immunology

Assay Protocol

https://www.medchemexpress.com/hexahydrofarnesyl-acetone.html

Purity

99.86

Solubility

DMSO : 33.33 mg/mL (ultrasonic; warming; heat to 60°C)

Smiles

CC(CCCC(C)CCCC(C)CCCC(C)C)=O

Molecular Formula

C18H36O

Molecular Weight

268.48

Precautions

H410

References & Citations

[1]Opeyemi N Avoseh, et al.Albizia lebbeck and Albizia zygia volatile oils exhibit anti-nociceptive and anti-inflammatory properties in pain models.J Ethnopharmacol. 2021 Mar 25;268:113676|[2]Guoqing Wei, et al. Essential oil composition and antibacterial activity of Lindera nacusua (D. Don) Merr. Nat Prod Res. 2016 Dec;30 (23) :2704-2706.|[3]Jiangseubchatveera N, et al. The Chemical Constituents and the Cytotoxicity, Antioxidant and Antibacterial Activities of the Essential Oil of Graptophyllum pictum (L.) Griff[J]. Journal of Essential Oil Bearing Plants, 2015, 18 (1) : 11-17.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

6,10,14-Trimethyl-2-pentadecanone

Hexahydrofarnesyl acetone is a ketone.

CAS Number	502-69-2
PubChem CID	10408
IUPAC Name	6,10,14-trimethylpentadecan-2-one
Molecular Formula	C18H36O
Molecular Weight	268.5
XLogP	6.9
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	12
Heavy Atom Count	19
Formal Charge	0
Complexity	220

SMILES

CC(C)CCCC(C)CCCC(C)CCCC(=O)C

InChI

InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3

InChIKey

WHWDWIHXSPCOKZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 502-69-2

CID: 10408

Formula: C18H36O

MW: 268.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	268.5
XLogP3	6.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	12
Exact Mass	268.276615768
Monoisotopic Mass	268.276615768
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	220
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Hexahydrofarnesyl acetone

Chemical Information

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