Apiin
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Apiin
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CAS No:
26544-34-3
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Formula:
C26H28O14
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Chemical Name:
Apiin
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Synonyms:
4H-1-Benzopyran-4-one,7-[(2-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-;Apiin;7-[(2-O-D-Apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Apigenin 7-O-β-D-apiofuranosyl(1→2)-β-D-glucopyranoside;1329-41-5;25429-01-0;28709-95-7;36839-81-3
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CAS No:
Description
Apiin, a major constituent of Apium graveolens leaves with anti-inflammatory properties. Apiin shows significant inhibitory activity on nitrite (NO) production (IC50 = 0.08 mg/mL) in-vitro and iNOS expression (IC50 = 0.049 mg/ mL) in LPS-activated J774.A1 cells[1].
Apiin is a beta-D-glucoside having a beta-D-apiosyl residue at the 2-position and a 5,4'-dihydroxyflavon-7-yl moiety at the anomeric position. It has a role as an EC 3.2.1.18 (exo-alpha-sialidase) inhibitor and a plant metabolite. It is a beta-D-glucoside, a dihydroxyflavone and a glycosyloxyflavone. It derives from an apigenin. It is a conjugate acid of an apiin(1-).
Characteristics
228.97000
-1.48520
white
1.7±0.1 g/cm3
232-233 °C
942.159°C at 760 mmHg
316.7±27.8 °C
1.744
0mmHg at 25°C
229.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Safety Information
NONH for all modes of transport
1
|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 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Apiin Use and Manufacturing
Apiin is an extract flavonoid compound from parsley which shows inhibition towards viral neuramindase. It also shows antiproliferative and apoptotic effects towards human cancer cells.
Computed Properties
Molecular Weight:564.5
XLogP3:-0.4
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:7
Exact Mass:564.14790556
Monoisotopic Mass:564.14790556
Topological Polar Surface Area:225
Heavy Atom Count:40
Complexity:923
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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