3,7-Dihydroxy-1,9-dimethyl-8-(3-methyl-2-buten-1-yl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde
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3,7-Dihydroxy-1,9-dimethyl-8-(3-methyl-2-buten-1-yl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde
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CAS No:
68455-09-4
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Formula:
C21H20O6
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Chemical Name:
3,7-Dihydroxy-1,9-dimethyl-8-(3-methyl-2-buten-1-yl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde
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Synonyms:
11H-Dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde,3,7-dihydroxy-1,9-dimethyl-8-(3-methyl-2-buten-1-yl)-11-oxo-;11H-Dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde,3,7-dihydroxy-1,9-dimethyl-8-(3-methyl-2-butenyl)-11-oxo-;3,7-Dihydroxy-1,9-dimethyl-8-(3-methyl-2-buten-1-yl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde;Mollicellin H
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CAS No:
Description
Mollicellin H is a member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by hydroxy groups at position 3 and 7, methyl group at positions 1 and 9, a prenyl group at position 8, an oxo group at position 11 and a formyl group at position 4. Isolated from Chaetomium brasiliense it exhibits cytotoxic activity. It has a role as an antineoplastic agent and a Chaetomium metabolite. It is an aldehyde, a member of depsidones, an organic heterotricyclic compound and a polyphenol.
3,7-Dihydroxy-1,9-dimethyl-8-(3-methyl-2-buten-1-yl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde Basic Attributes
368.4 g/mol
368.38
1WRS31P3AM
DTXSID90218571
Computed Properties
Molecular Weight:368.4
XLogP3:4.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:368.12598835
Monoisotopic Mass:368.12598835
Topological Polar Surface Area:93.1
Heavy Atom Count:27
Complexity:598
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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