Aloe emodin
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Aloe emodin
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CAS No:
481-72-1
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Formula:
C15H10O5
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Chemical Name:
Aloe emodin
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Synonyms:
9,10-Anthracenedione,1,8-dihydroxy-3-(hydroxymethyl)-;Anthraquinone,1,8-dihydroxy-3-(hydroxymethyl)-;1,8-Dihydroxy-3-(hydroxymethyl)-9,10-anthracenedione;1,8-Dihydroxy-3-hydroxymethylanthraquinone;3-Hydroxymethylchrysazin;Rhabarberone;Aloe emodin;Aloe-emodol;3-Hydroxymethylchrysazine;NSC 38628;1,8-Dihydroxy-3-(hydroxymethyl)-9,10-anthraquinone
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CAS No:
Description
Aloe emodin is a hydroxyanthraquinone present in Aloe vera leaves, has a specific in vitro and in vivo antitumor activity.IC50 value:Target:in vitro: aloe-emodin treatment led to the dissociation of heat shock protein 90 (HSP90) and ER α and increased ER α ubiquitination. Protein fractionation results suggest that aloe-emodin tended to induce cytosolic ER α degradation [1]. Aloe-emodin, a natural compound found in aloe, inhibited both proliferation and anchorage-independent growth of PC3
Solid
Aloe emodin is a dihydroxyanthraquinone that is chrysazin carrying a hydroxymethyl group at position 3. It has been isolated from plant species of the genus Aloe. It has a role as an antineoplastic agent and a plant metabolite. It is a dihydroxyanthraquinone and an aromatic primary alcohol. It derives from a chrysazin.
Characteristics
94.83000
1.8
Solid
1.6±0.1 g/cm3
223.5 °C
568.8°C at 760 mmHg
311.9±26.6 °C
1.746
2-8°C
Safety Information
NONH for all modes of transport
3
R36/37/38
S26; S36
CB6712200
Xi
Hygroscopic
P261-P305 + P351 + P338
H315-H319-H335
Aloe emodin Use and Manufacturing
Shows significant inhibitory activity against the P-388 leukemia in mice when administered as a suspension in acetone-Tween 80. Has a specific in vitro and in vivo antineuroectodermal tumor activity. Cathartic.
Polyketides [PK] -> Aromatic polyketides [PK13] -> Anthracenes and phenanthrenes [PK1304]
Computed Properties
Molecular Weight:270.24
XLogP3:1.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:270.05282342
Monoisotopic Mass:270.05282342
Topological Polar Surface Area:94.8
Heavy Atom Count:20
Complexity:421
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
Exerts purgative effects via stimulation of the colon
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