Aucubin
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Aucubin
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CAS No:
479-98-1
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Formula:
C15H22O9
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Chemical Name:
Aucubin
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Synonyms:
β-D-Glucopyranoside,(1S,4aR,5S,7aS)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl;Aucubin;β-D-Glucopyranoside,1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl,[1S-(1α,4aα,5α,7aα)]-;(1S,4aR,5S,7aS)-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl β-D-glucopyranoside;Aucuboside;Rhimantin;Aucubine;Aucubosid;Acubin;99005-46-6;11019-67-3;11019-65-1;22593-66-4
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CAS No:
Description
Aucubin is an iridoid glycoside with a wide range of biological activities, including anti-inflammatory, anti-microbial, anti-algesic as well as anti-tumor activities.IC50 value:Target:In vitro: Aucubin promotes neuronal differentiation and neurite outgrowth in neural stem cells cultured primarily from the rat embryonic hippocampus [1]. Aucubin significantly reversed the elevated gene and protein expression of MMP-3, MMP-9, MMP-13, iNOS, COX-2 and the production of NO induced by IL-1β ch
Aucubin is an organic molecular entity. It has a role as a metabolite.
Characteristics
149
-3.17
White solid
1.6±0.1 g/cm3
181 °C
669.0±55.0 °C at 760 mmHg
358.4±31.5 °C
1.660
2-8°C
0mmHg at 25°C
D21 -163.1° (c = 1.6)
Safety Information
NONH for all modes of transport
3
22
22-45
Stable at normal temperatures and pressures.
P264, P270, P301+P312, P330, P501
H302
Aucubin Use and Manufacturing
Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
Computed Properties
Molecular Weight:346.33
XLogP3:-3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:346.12638228
Monoisotopic Mass:346.12638228
Topological Polar Surface Area:149
Heavy Atom Count:24
Complexity:507
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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