10-ヒドロキシカンチン-6-オン
10-Hydroxycanthin-6-one
基本情報
- CAS
86293-41-6- 標準SMILES
O=c1ccc2nccc3c4cc(O)ccc4n1c23- InChIKey
FZLISVGXWLVEPB-UHFFFAOYSA-N- 分子式
- C14H8N2O2
- 平均分子量
- 236.22 g/mol
- 単同位体質量
- 236.0585775
概要
10-hydroxycanthin-6-one is an indole alkaloid that is canthin-6-one substituted by a hydroxy group at position 10. Isolated from Simaba multiflora, it exhibits antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is an organic heterotetracyclic compound and an indole alkaloid. It is functionally related to a canthin-6-one.
名称と識別子
- 優先名称
- 10-Hydroxycanthin-6-one
- IUPAC
- 12-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
- 現地名
- 10-ヒドロキシカンチン-6-オン
- 英語名
- 10-Hydroxycanthin-6-one
- 分子式
- C14H8N2O2
- 分子量
- 236.23
名称と別名
10-hydroxycanthin-6-one86293-41-6ervine10-Hydroxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one12-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 10-hydroxy-6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 10-hydroxy-NSC341583CHEMBL454311orb1683952CHEBI:66064DTXSID40235475
名称をさらに表示
10-ヒドロキシカンチン-6-オン9-ヒドロキシ-6H-6a-アザフルオランテン-6-オン12-ヒドロキシ-1-アザテトラシクロ[7.6.1.05,16.010,15]ヘキサデカ-3,5,7,9(16),10(15),11,13-ヘプタエン-2-オンAervine6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one,10-hydroxy-
TN2567AKOS040760903FS-8131NSC 341583NSC-341583DS-009067CANTHIN-6-ONE, HYDROXY-K-215 B815099Q27134576
データベース識別子
- CAS
物性
構造計算による物性
- XLogP
- 2.1
- 極性表面積
- 55.1 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 0
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 409
物理化学的性質
- 沸点
- 410.1 · 410.1±45.0 °C(Predicted)
- 比重(密度)
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 8.96 · 8.96±0.20(Predicted)
化学と産業
応用分野
説明The empirical formula for this alkaloid should read C21H24N203 and the structure is that given above. This alkaloid has been fully described by Malikov and his colleagues. It forms colourless crystals with m.p. 222-3°C from MeOH and has the following specific rotations: [α]D- 57.3° (c 2.01, MeOH) and [α] D - 83.5° (c 0.3, pyridine). Among the crystalline salts and derivatives that have been prepared are the hydrochloride, m.p. 265-8°C; hydrobromide, m.p. 285-6°C; hydriodide, m.p. 255-8°C and the methiodide, m.p. 258-260°C.
補足説明
定義ChEBI: An indole alkaloid that is canthin-6-one substituted by a hydroxy group at position 10. Isolated from Simaba multiflora, it exhibits antineoplastic activity.
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