alpha-Cadinol

alpha-Cadinol
Compound Structure:
Synonyms: alpha-Cadinol;Cadin-4-en-10-ol;l-alpha-Cadinol;481-34-5;(-)-alpha-Cadinol;DC0YJ4816P;alpha-Cadinol, (-)-;l-.alpha.-Cadinol;(-)-.alpha.-Cadinol;(1R,4S,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
Compound ID: NMPC-576
PubChem ID:

10398656

Molecular Formula: C15H26O
Canonical SMILES: CC1=CC2C(CCC(C2CC1)(C)O)C(C)C
InChIKey: LHYHMMRYTDARSZ-BYNSBNAKSA-N
About the compound:

Alpha-cadinol, also known as 10α-hydroxy-4-cadinene, is a sesquiterpenoid alcohol with important properties and potential uses. Here are some key points about alpha-cadinol:

Chemical Structure: Alpha-cadinol is classified as a cadinane sesquiterpenoid. It is derived from cadin-4-ene and has a hydroxy substituent at position 10. This compound is characterized by its unique structure, which includes a tertiary alcohol functional group.

Natural Occurrence: Alpha-cadinol is found in various plant species, and it is considered a plant metabolite. It can be present in the volatile oils of certain plants.

Fungicidal Properties: Alpha-cadinol has been studied for its antifungal properties. It is reported to have activity against fungi, making it potentially useful in the control of fungal infections in plants or other applications.

Hepatoprotective Activity: Some research suggests that alpha-cadinol may have hepatoprotective properties. This means it could help protect the liver from damage or support its function.

Potential Tuberculosis Treatment: Alpha-cadinol has been proposed as a possible remedy for drug-resistant tuberculosis. This suggests that it may have antimicrobial properties that could be beneficial in combating this challenging infectious disease.

Overall, alpha-cadinol is a sesquiterpenoid alcohol with diverse potential applications, including its use as an antifungal agent, hepatoprotective compound, and a candidate for addressing drug-resistant tuberculosis. Its natural occurrence in plants makes it an interesting compound for further research and exploration in various fields

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

222.37 g/mol

XLogP3-AA

3.3

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

1

Exact Mass

222.198365449 g/mol

Monoisotopic Mass

222.198365449 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

292

Isotope Atom Count

0

Defined Atom Stereocenter Count

4

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Physical Description

Solid

Boiling Point

302.00 to 304.00 °C. @ 760.00 mm Hg

Melting Point

74.5 - 75 °C

Source: PubChem

Source Species: Ficus capensis
Tithonia diversifolia
Cymbopogon citratus
Zingiber officinale
Securidata longependuculat
Boswellia dalzielii
Brachystegia eurycoma
Hyparrhenia rufa
Centratherum punctatum
Murraya Koenigii
Polyalthia suaveolens
Pyrenacantha staudtii
Tecoma stans
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