Chaetominine
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Chaetominine
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CAS No:
918659-56-0
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Formula:
C22H18N4O4
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Chemical Name:
Chaetominine
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Synonyms:
Chaetominine;(2S,4R,5aS,9cS)-4,5,5a,9c-Tetrahydro-5a-hydroxy-2-methyl-4-(4-oxo-3(4H)-quinazolinyl)-3H-2a,9b-diazacyclopenta[jk]fluorene-1,3(2H)-dione;Chaetominine (-)-Chaetominine;(2S,2a1S,4R,5AS)-5a-hydroxy-2-methyl-4-(4-oxoquinazolin-3(4H)-yl)-2a1,4,5,5a-tetrahydro-1H-2a
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CAS No:
Description
Chaetominine is an organic heterotetracyclic compound that consists of 4,5,5a,9c-tetrahydro-3H-2a,9b-diazacyclopenta[jk]fluorene-1,3(2H)-dione substituted by a hydroxy group at position 5, a methyl group at position 2 and a 4-oxoquinazolin-3(4H)-yl group at position 4 (the 2S,4R,5aS,9cS stereoisomer). It is a cytotoxic alkaloid isolated from the endophytic fungus Chaetomium. It has a role as a metabolite. It is an organic heterotetracyclic compound, a member of quinazolines, a lactam and an indole alkaloid.
Computed Properties
Molecular Weight:402.4
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:402.13280507
Monoisotopic Mass:402.13280507
Topological Polar Surface Area:93.5
Heavy Atom Count:30
Complexity:845
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes