Agnuside

Modify Date: 2026-07-01 20:45:27

Agnuside Structure
Agnuside structure
Common Name Agnuside
CAS Number 11027-63-7 Molecular Weight 466.435
Density 1.6±0.1 g/cm3 Boiling Point 785.5±60.0 °C at 760 mmHg
Molecular Formula C22H26O11 Melting Point 134-136ºC
MSDS Chinese USA Flash Point 273.5±26.4 °C
Symbol GHS07
GHS07
Signal Word Warning

 Use of Agnuside


Agnuside is a compound isolated from Vitex negundo, down-regulates pro-inflammatory mediators PGE2 and LTB4, and reduces the expression of cytokines, with anti-arthritic activity[1].

 Names

Name [(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate
Synonym More Synonyms

 Agnuside Biological Activity

Description Agnuside is a compound isolated from Vitex negundo, down-regulates pro-inflammatory mediators PGE2 and LTB4, and reduces the expression of cytokines, with anti-arthritic activity[1].
Related Catalog
References

[1]. Pandey A, et al. Anti-arthritic activity of agnuside mediated through the down-regulation of inflammatory mediators and cytokines. Inflamm Res. 2012 Apr;61(4):293-304.

 Chemical & Physical Properties

Density 1.6±0.1 g/cm3
Boiling Point 785.5±60.0 °C at 760 mmHg
Melting Point 134-136ºC
Molecular Formula C22H26O11
Molecular Weight 466.435
Flash Point 273.5±26.4 °C
Exact Mass 466.147522
PSA 175.37000
LogP -1.24
Vapour Pressure 0.0±2.9 mmHg at 25°C
Index of Refraction 1.681
InChIKey GLACGTLACKLUJX-QNAXTHAFSA-N
SMILES O=C(OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12)c1ccc(O)cc1
Storage condition ?20°C

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H319
Precautionary Statements P305 + P351 + P338
Hazard Codes Xi
Risk Phrases 36
Safety Phrases 26
RIDADR NONH for all modes of transport
HS Code 29329990

 AgnusideBioassay

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Name: HepG2 viability counterscreen (readout 2: ATP content) against the NCATS DSHEA and TC...
Source: NCGC
Target: N/A
External Id: DSHEA-v1-HepG2-viability-CTG-ATP
Name: Effect on cell morphology in HUVEC at 1 to 2500 ng/ml after 24 to 96 hrs by DAPI stai...
Source: ChEMBL
Target: HUVEC
External Id: CHEMBL4383630
Name: Pro-angiogenic activity in HUVEC assessed as increase in meshes formation after 22 hr...
Source: ChEMBL
Target: HUVEC
External Id: CHEMBL4383631
Name: Pro-angiogenic activity in HUVEC assessed as increase in meshes formation at 0.1 to 1...
Source: ChEMBL
Target: HUVEC
External Id: CHEMBL4383632
Name: Pro-angiogenic activity in HUVEC assessed as increase in tubular network formation at...
Source: ChEMBL
Target: HUVEC
External Id: CHEMBL4383633
Name: Pro-angiogenic activity in HUVEC assessed as increase in tubular network formation at...
Source: ChEMBL
Target: HUVEC
External Id: CHEMBL4383634
Name: Antimigratory activity in HUVEC assessed as wound closure at 100 ng/ml after 24 hrs b...
Source: ChEMBL
Target: HUVEC
External Id: CHEMBL4383635
Name: Pro-angiogenic activity in HUVEC assessed as increase in cell proliferation at 2500 n...
Source: ChEMBL
Target: HUVEC
External Id: CHEMBL4383627
Name: Pro-angiogenic activity in HUVEC assessed as increase in cell proliferation at 2500 n...
Source: ChEMBL
Target: HUVEC
External Id: CHEMBL4383628
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 Synonyms

Benzoic acid, 4-hydroxy-, [(1S,4aR,5S,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxycyclopenta[c]pyran-7-yl]methyl ester
[(1S,4aR,5S,7aS)-1-(β-D-Glucopyranosyloxy)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate
[(1S,4aR,5S,7aS)-1-(β-D-Glucopyranosyloxy)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyr-7-yl]methyl-4-hydroxybenzoat
[(1S,4aR,5S,7aS)-5-Hydroxy-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-1,4a,5,7a-tetrahydrocyclopenta[c]pyr-7-yl]methyl-4-hydroxybenzoat
[(1S,4aR,5S,7aS)-5-Hydroxy-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate
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4-Hydroxybenzoate de [(1S,4aR,5S,7aS)-5-hydroxy-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}-1,4a,5,7a-tétrahydrocyclopenta[c]pyran-7-yl]méthyle
Agnuside
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