Alliin
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Alliin
structure -
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CAS No:
556-27-4
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Formula:
C6H11NO3S
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Chemical Name:
Alliin
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Synonyms:
L-Cysteine,S-2-propen-1-yl-,S-oxide,[S(S)]-;Alanine,3-(allylsulfinyl)-,(S)-L-;L-Alanine,3-(2-propenylsulfinyl)-,(S)-;Alanine,3-(allylsulfinyl)-;L-Alanine,3-[(S)-2-propenylsulfinyl]-;Alliin;S-Allyl-L-cysteine-(+)-sulfoxide;(+)-L-Alliin;23358-38-5
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CAS No:
Description
Alliin, an orally active sulfoxide compound derived from garlic, exhibits hypoglycemic, antioxidant and anti-inflammatory activities[1][2].
Characteristics
99.60000
-0.48
White to off white crystalline powder
1.4±0.1 g/cm3
165 °C
416.1±45.0 °C at 760 mmHg
205.5±28.7 °C
1.579
−20°C
4.32E-08mmHg at 25°C
D20 +63.5° (c = 2)
Safety Information
NONH for all modes of transport
3
36/37/38
26
Xi
Stable at normal temperatures and pressures.
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)|Substances which lower blood glucose levels. (See all compounds classified as Hypoglycemic Agents.)
alliin
Computed Properties
Molecular Weight:177.22
XLogP3:-3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:177.04596439
Monoisotopic Mass:177.04596439
Topological Polar Surface Area:99.6
Heavy Atom Count:11
Complexity:181
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
It has inhibitory and bactericidal effects on various cocci, pertussis bacteria, diphtheria bacteria, dysentery bacteria, typhoid and paratyphoid bacteria, Escherichia coli, tuberculosis bacteria, etc. It has an inhibitory effect on fungal infections. It also has an inhibitory and killing effect on amoeba, vaginal trichomoniasis, pinworms, etc.
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