基本情報
- CAS
1685-91-2- 標準SMILES
COC1=C(C2=C(OC)C(=O)c3cc4c(c(O)c3C2=O)C(=O)OC(C)C4)C(=O)c2c(cc3c(c2O)C(=O)OC(C)C3)C1=O- InChIKey
WICHONPZVIYWIJ-UHFFFAOYSA-N- 分子式
- C30H22O12
- 平均分子量
- 574.5 g/mol
- 単同位体質量
- 574.11112613
概要
Xanthomegnin is a mutagenic mycotoxin isolated from Penicillium citreo-viride. It is known to cause nephropathy and death in farm animals exposed to food-borne Penicillium (and Aspergillus fungi). In humans and animals, oral intake of xanthomegnin leads to kidney and liver abnormalities, often first presenting as jaundice. Death may result. The compound has been shown to interfere with cellular respiratory processes and has given positive results in tests for genotoxic potential.
名称と識別子
- 優先名称
- 10,10'-Dihydroxy-7,7'-dimethoxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1H,1'H-(8,8'-binaphtho(2,3-c)pyran)-1,1',6,6',9,9'-hexone
- IUPAC
- 10-hydroxy-8-(10-hydroxy-7-methoxy-3-methyl-1,6,9-trioxo-3,4-dihydrobenzo[g]isochromen-8-yl)-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromene-1,6,9-trione
- 現地名
- (3R,3'R)-3,3'-ジメチル-7,7'-ジメトキシ-10,10'-ジヒドロキシ-3,3',4,4'-テトラヒドロ-8,8'-ビ[1H-ナフト[2,3-c]ピラン]-1,1',6,6',9,9'-ヘキサオン
- 英語名
- xanthomegnin
- 分子式
- C30H22O12
- 分子量
- 574.49
名称と別名
DTXSID6093750010,10'-Dihydroxy-7,7'-dimethoxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1H,1'H-(8,8'-binaphtho(2,3-c)pyran)-1,1',6,6',9,9'-hexone10,10'-Dihydroxy-7,7'-dimethoxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1H,1'H-[8,8'-binaphtho[2,3-c]pyran]-1,1',6,6',9,9'-hexoneRefChem:1057176DTXCID60136606310-hydroxy-8-(10-hydroxy-7-methoxy-3-methyl-1,6,9-trioxo-3,4-dihydrobenzo[g]isochromen-8-yl)-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromene-1,6,9-trioneNSC264720C30H22O12MFCD00902622NS001263153,3'-bis(2-methoxy-5-hydroxy-7-(2-hydroxypropyl)-8- carboxyl-1,4-naphthoquinone lactone)[8,2-c]pyran]-1,1',7,7',10,10'-hexone, 3,3',4,4'-tetrahydro-6,6'-dihydroxy-9,9'-dimethoxy-3,3'-dimethyl-, (3R,3'R)-
名称をさらに表示
(3R,3'R)-3,3',4,4'-テトラヒドロ-10,10'-ジヒドロキシ-7,7'-ジメトキシ-3,3'-ジメチル-8,8'-ビ[1H-ナフト[2,3-c]ピラン]-1,1',6,6',9,9'-ヘキサオンキサントメグニン(3R,3'R)-3,3'-ジメチル-7,7'-ジメトキシ-10,10'-ジヒドロキシ-3,3',4,4'-テトラヒドロ-8,8'-ビ[1H-ナフト[2,3-c]ピラン]-1,1',6,6',9,9'-ヘキサオン
物性
構造計算による物性
- XLogP
- 4
- 極性表面積
- 180 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 12
- 回転可能結合数
- 3
- 重原子数
- 42
- 形式電荷
- 0
- 複雑度
- 1,260
物理化学的性質
- 沸点
- 943.7 · 943.7±65.0 °C(Predicted)
- 比重(密度)
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 5.61 · 5.61±0.40(Predicted)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
毒性情報
Exposure RoutesOral, dermal, inhalation, and parenteral (contaminated drugs). (A3101)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
化学と産業
用途と製造
UsesXanthomegnin is a mutagenic mycotoxin isolated from Penicillium citreo-viride.
応用分野
使用Xanthomegnin is a napthoquinone mycotoxin and its presence in the epidermis is used in the diagnosis of a Trichophyton rubrum infections.
サプライヤー9 社
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Aladdin Scientific[email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
上海同田生物技术有限公司021-51320588 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…