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Aucubin

Aucubin structure

CAS No:
479-98-1
Formula:
C15H22O9
Chemical Name:
Aucubin
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
Categories:
Biochemical Engineering > Chinese Herbs

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.

Aucubin Basic Attributes

Molecular Weight：

346.33

Exact Mass：

346.33

EC Number：

207-540-8

UNII：

2G52GS8UML

Characteristics

PSA：

149

XLogP3：

-3.17

Appearance：

White solid

Density：

1.6±0.1 g/cm3

Melting Point：

181 °C

Boiling Point：

669.0±55.0 °C at 760 mmHg

Flash Point：

358.4±31.5 °C

Refractive Index：

1.660

Storage Conditions：

2-8°C

Vapor Pressure：

0mmHg at 25°C

Specific rotation：

D21 -163.1° (c = 1.6)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

22-45

Stability/Shelf Life：

Stable at normal temperatures and pressures.

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

Drug Information

MeSH Entry Terms：

aucubin

Aucubin Use and Manufacturing

Use Classification：

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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Guide of Aucubin

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Aucubin

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