基本情報
- CAS
12794-19-3- 標準SMILES
NC(=O)CC1OC(=O)Cc2cc3c(c(O)c21)C(=O)c1c(O)cccc1C3=O- InChIKey
QZENCFIHIPLZMU-UHFFFAOYSA-N- 分子式
- C19H13NO7
- 平均分子量
- 367.3 g/mol
- 単同位体質量
- 367.06920175
概要
Ekatetrone is an organic heterotetracyclic compound that is 1,8-dihydroxy-9,10-anthraquinone which is substituted at position 2 and 3 by 3-amino-1-hydroxy-3-oxopropyl and carboxymethyl groups, respectively, in which the hydroxy group beta- to the carboxamide has undergone formal condensation with the carboxy group to give the corresponding delta-lactone. Isolated from various strains of Kitasatospora aureofaciens (Streptomyces aureofaciens), it inhibits the growth of Ehrlich ascites carcinoma in vitro. It has a role as an antineoplastic agent and a bacterial metabolite. It is a primary carboxamide, a delta-lactone, an anthraquinone, a member of phenols and an organic heterotetracyclic compound.
名称と識別子
- 優先名称
- 2-(10,12-Dihydroxy-3,6,11-trioxo-1,4-dihydronaphtho[2,3-g]isochromen-1-yl)acetamide
- IUPAC
- 2-(10,12-dihydroxy-3,6,11-trioxo-1,4-dihydronaphtho[2,3-g]isochromen-1-yl)acetamide
- 現地名
- (+)-3,4,6,11-テトラヒドロ-10,12-ジヒドロキシ-3,6,11-トリオキソ-1H-アントラ[2,3-c]ピラン-1-アセトアミド
- 英語名
- (+)-3,4,6,11-Tetrahydro-10,12-dihydroxy-3,6,11-trioxo-1H-anthra[2,3-c]pyran-1-acetamide
- 分子式
- C19H13NO7
- 分子量
- 367.31
名称と別名
(+)-EkatetroneNSC 3194782-(10,12-dihydroxy-3,6,11-trioxo-1,4-dihydronaphtho[2,3-g]isochromen-1-yl)acetamideorb3024802CHEMBL1983811SCHEMBL29885094QZENCFIHIPLZMU-UHFFFAOYSA-NHY-N14167NSC319478NSC-319478TN10119NCI60_002755
名称をさらに表示
(+)-3,4,6,11-テトラヒドロ-10,12-ジヒドロキシ-3,6,11-トリオキソ-1H-アントラ[2,3-c]ピラン-1-アセトアミド(+)-エカテトロン2-(10,12-ジヒドロキシ-3,6,11-トリオキソ-3,4,6,11-テトラヒドロ-1H-2-オキサテトラセン-1-イル)アセトアミドEkatetrone(+)-3,4,6,11-Tetrahydro-10,12-dihydroxy-3,6,11-trioxo-1H-anthra[2,3-c]pyran-1-acetamide1H-Anthra[2,3-c]pyran-1-acetamide, 3,4,6,11-tetrahydro-10,12-dihydroxy-3,6,11-trioxo-, (+)-
1,8-dihydroxy-2-(1'-hydroxy-2'-carbamoyl)ethyl- 9,10-anthraquinone 3-acetic acid lactone1,8-dihydroxy-2-(1'-hydroxy-2'-carbamoyl)ethyl-9,10-anthraquinone-3-acetic acid lactone(+)-2-(10,12-dihydroxy-3,6,11-trioxo-3,4,6,11-tetrahydro-1H-naphtho[2,3-g]isochromen-1-yl)acetamide2-(10,12-Dihydroxy-3,6,11-trioxo-3,4,6,11-tetrahydro-1H-anthra[2,3-c]pyran-1-yl)acetamide2-(10,12-Dihydroxy-3,6,11-trioxo-3,4,6,11-tetrahydro-1H-naphtho[2,3-g]isochromen-1-yl)acetamide #
物性
構造計算による物性
- XLogP
- 1
- 極性表面積
- 144 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 7
- 回転可能結合数
- 2
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 692
物理化学的性質
- 沸点
- 742.7 · 742.7±60.0 °C(Predicted)
- 比重(密度)
- 1.606 · 1.606±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 5.61 · 5.61±0.40(Predicted)
化学と産業
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TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
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