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Djalonensone

Djalonensone structure

CAS No:
23452-05-3
Formula:
C15H12O5
Chemical Name:
Djalonensone
Synonyms:
6H-Dibenzo[b,d]pyran-6-one,3,7-dihydroxy-9-methoxy-1-methyl-;2-Biphenylcarboxylic acid,2′,3,4′-trihydroxy-5-methoxy-6′-methyl-,δ-lactone;3,7-Dihydroxy-9-methoxy-1-methyl-6H-dibenzo[b,d]pyran-6-one;AME;Alternariol 9-methyl ether;Alternariol monomethyl ether;Djalonensone;NSC 638262;Alternariol-5-O-methyl ether;Alternariol 9-O-methyl ether;Alternariol 4-O-methyl ether;3,7-Dihydroxy-9-methoxy-1-methylbenzo[c]chromen-6-one
Categories:
Analytical Chemistry > Standard

Description

Djalonensone is a benzochromenone that is alternariol in which the hydroxy group at position 9 has been converted into the corresponding methyl ether. A natural product found in Chaetomium globosum. It has a role as an antifungal agent and a fungal metabolite. It is a benzochromenone and an aromatic ether. It derives from an alternariol.

Djalonensone Basic Attributes

Molecular Weight：

272.255

Exact Mass：

272.25

UNII：

Y79STA800H

NSC Number：

638262

DSSTox ID：

DTXSID30178004

HScode：

29322090

Characteristics

PSA：

XLogP3：

3.2

Density：

1.2066 (rough estimate)

Melting Point：

277-279 °C

Boiling Point：

559.2ºC at 760mmHg

Flash Point：

217.4ºC

Refractive Index：

1.665

Storage Conditions：

-20°C

Vapor Pressure：

0mmHg at 25°C

Flammability characteristics：

Flammable; burning produces irritating fumes

Safety Information

wgk germany：

hazard class code：

22-43

safety instructions：

36/37

Marks：

Storage features：

Treasury is ventilated, low temperature and dry; stored separately from food materials

Precautionary statement(s)：

P201, P202, P260, P262, P264, P270, P271, P280, P281, P284, P301+P310, P302+P350, P304+P340, P308+P313, P310, P320, P321, P322, P330, P361, P363, P403+P233, P405, P501

Hazard Statements：

H300

GHS Classification：

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P201, P202, P260, P262, P264, P270, P271, P280, P281, P284, P301+P310, P302+P350, P304+P340, P308+P313, P310, P320, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

alternariol monomethyl ether

Computed Properties

Molecular Weight:272.25
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:272.06847348
Monoisotopic Mass:272.06847348
Topological Polar Surface Area:76
Heavy Atom Count:20
Complexity:385
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes