Xanthoplanine
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Xanthoplanine
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CAS No:
6872-88-4
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Formula:
C21H26NO4
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Chemical Name:
Xanthoplanine
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Synonyms:
4H-Dibenzo[de,g]quinolinium,5,6,6a,7-tetrahydro-9-hydroxy-1,2,10-trimethoxy-6,6-dimethyl-,(6aS)-;6aα-Aporphinium,9-hydroxy-1,2,10-trimethoxy-6-methyl-;4H-Dibenzo[de,g]quinolinium,5,6,6a,7-tetrahydro-9-hydroxy-1,2,10-trimethoxy-6,6-dimethyl-,(S)-;(6aS)-5,6,6a,7-Tetrahydro-9-hydroxy-1,2,10-trimethoxy-6,6-dimethyl-4H-dibenzo[de,g]quinolinium;Xanthoplanine;(+)-Xanthoplanine;(6AS)-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-ium-9-ol;Isolantolactonoid butenolide A
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CAS No:
Description
Xanthoplanine, isolated from theroot of Xylopia parviflora, fully inhibits the EC50 ACh responses of both alpha7 and alpha4beta2 nACh receptors with estimated IC50 values of 9 μM (alpha7) and 5 μM (alpha4beta2)[1].
Xanthoplanine is an isoquinoline alkaloid.
Drug Information
(6aS)-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-6-ium-9-ol
Computed Properties
Molecular Weight:356.4
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:356.18618331
Monoisotopic Mass:356.18618331
Topological Polar Surface Area:47.9
Heavy Atom Count:26
Formal Charge:1
Complexity:512
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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