2-Hydroxy-5-methoxy-3-undecyl-2,5-cyclohexadiene-1,4-dione
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2-Hydroxy-5-methoxy-3-undecyl-2,5-cyclohexadiene-1,4-dione
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CAS No:
56005-10-8
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Formula:
C18H28O4
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Chemical Name:
2-Hydroxy-5-methoxy-3-undecyl-2,5-cyclohexadiene-1,4-dione
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Synonyms:
2,5-Cyclohexadiene-1,4-dione,2-hydroxy-5-methoxy-3-undecyl-;2-Hydroxy-5-methoxy-3-undecyl-2,5-cyclohexadiene-1,4-dione;5-O-Methylembelin;2-Hydroxy-5-methoxy-3-undecyl-[1,4]benzoquinone
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CAS No:
Description
Solid
5-O-methyl embelin is a member of the class of monohydroxy-1,4-benzoquinones that is embelin in which the hydroxy group at position 5 is replaced by a methoxy group. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antileishmanial activity as well as inhibitory activity towards hepatitis C protease. It has a role as a metabolite, a hepatitis C protease inhibitor, an antileishmanial agent and an antineoplastic agent. It is an enol ether and a member of monohydroxy-1,4-benzoquinones. It derives from an embelin.
2-Hydroxy-5-methoxy-3-undecyl-2,5-cyclohexadiene-1,4-dione Basic Attributes
308.41300
308.41
4H3R9623BA
DTXSID10204577
2914690090
Characteristics
63.60000
4.40150
1.06g/cm3
88-90 °C @ Solvent: Ethanol
439.5ºC
149.9ºC
1.505
1.266 mg/L @ 25 °C (est)
Computed Properties
Molecular Weight:308.4
XLogP3:5.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:11
Exact Mass:308.19875937
Monoisotopic Mass:308.19875937
Topological Polar Surface Area:63.6
Heavy Atom Count:22
Complexity:446
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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