neo-gambogicacid
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neo-gambogicacid
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CAS No:
93772-31-7
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Formula:
C38H46O9
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Chemical Name:
neo-gambogicacid
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Synonyms:
gambogenic acid;neo-gambogic acid;neogambogic acid;FT-0701682;(E)-4-[10,12-dihydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0^{2,15.0^{2,19.0^{4,13.0^{6,11]docosa-4,6(11),12,15-tetraen-19-yl]-2-methylbut-2-enoic acid
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CAS No:
Description
Neogambogic acid, an active ingredient in garcinia, induces apoptosis and has anticancer effect. Neogambogic acid has significant inhibitory activity toward methicillin-resistant Staphylococcus aureus (MRSA)[1][2].
Computed Properties
Molecular Weight:646.8
XLogP3:6.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:646.31418304
Monoisotopic Mass:646.31418304
Topological Polar Surface Area:140
Heavy Atom Count:47
Complexity:1480
Undefined Atom Stereocenter Count:6
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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