基本情報
- CAS
77879-89-1- 標準SMILES
COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)ccc(O)c12- InChIKey
LAFIWGHCXCBAPO-CGVLGGEFSA-N- 分子式
- C26H26O9
- 平均分子量
- 482.5 g/mol
- 単同位体質量
- 482.1576824
概要
1-hydroxy-10,12-dimethoxy-8-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]naphtho[1,2-c]isochromen-6-one has been reported in Streptomyces, Streptomyces griseoflavus, and other organisms with data available.
名称と識別子
- 優先名称
- 1,5-Anhydro-6-deoxy-1-(1-hydroxy-10,12-dimethoxy-8-methyl-6-oxo-6H-benzo(d)naphtho(1,2-b)pyran-4-yl)hexitol
- IUPAC
- 1-hydroxy-10,12-dimethoxy-8-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]naphtho[1,2-c]isochromen-6-one
- 現地名
- 4-(6-デオキシ-α-L-ガラクトフラノシル)-1-ヒドロキシ-10,12-ジメトキシ-8-メチル-6H-ベンゾ[d]ナフト[1,2-b]ピラン-6-オン
- 英語名
- 6H-Benzo(d)naphtho(1,2-b)pyran-6-one, 4-(6-deoxy-alpha-galactofuranosy l)-1-hydroxy-10,12-dimethoxy-8-methyl-
- 分子式
- C26H26O9
- 分子量
- 482.48
名称と別名
DTXSID209990681,5-Anhydro-6-deoxy-1-(1-hydroxy-10,12-dimethoxy-8-methyl-6-oxo-6H-benzo(d)naphtho(1,2-b)pyran-4-yl)hexitol1,5-Anhydro-6-deoxy-1-(1-hydroxy-10,12-dimethoxy-8-methyl-6-oxo-6H-benzo[d]naphtho[1,2-b]pyran-4-yl)hexitolRefChem:1053408DTXCID101426044DC-38-MBRN 5675008SCHEMBL298843641-hydroxy-10,12-dimethoxy-8-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]naphtho[1,2-c]isochromen-6-oneDB-216124(1R)-1,5-Anhydro-6-deoxy-1-(1-hydroxy-10,12-dimethoxy-8-methyl-6-oxo-6H-benzo[d]naphtho[1,2-b]pyran-4-yl)-D-galactitolギルボカルシンM
名称をさらに表示
4-(6-デオキシ-α-L-ガラクトフラノシル)-1-ヒドロキシ-10,12-ジメトキシ-8-メチル-6H-ベンゾ[d]ナフト[1,2-b]ピラン-6-オン12-[(2R,3R,4R,5S)-3,4-ジヒドロキシ-5-[(1R)-1-ヒドロキシエチル]オキソラン-2-イル]-15-ヒドロキシ-3,17-ジメトキシ-5-メチル-9-オキサテトラシクロ[8.8.0.02,7.011,16]オクタデカ-1(10),2,4,6,11,13,15,17-オクタエン-8-オン4-(6-デオキシ-α-D-ガラクトフラノシル)-1-ヒドロキシ-10,12-ジメトキシ-8-メチル-6H-ベンゾ[d]ナフト[1,2-b]ピラン-6-オン
物性
構造計算による物性
- XLogP
- 2.3
- 極性表面積
- 135 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 9
- 回転可能結合数
- 3
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 778
物理化学的性質
- 沸点
- 807.966 · 807.966±65.00 °C(Press: 760.00 Torr)(predicted)
- 比重(密度)
- 1.453 · 1.453±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- DMF: soluble; DMSO: soluble
- 外見
- 黄色の固体。
- 酸解離定数(Pka)
- 8.595 · 8.595±0.20(predicted)
化学と産業
応用分野
説明Gilvocarcin M is an antibiotic originally isolated from S. gilvotanareus. It is active against S. aureus when used at a concentration of 32 μg/ml. Gilvocarcin M inhibits growth of KB cells (IC50 = 0.52 μg/ml) but has no effect on survival in a P388 mouse model of leukemia when used at doses ranging from 25 to 400 mg/kg. Gilvocarcin M intercalates into bacteriophage PM2 DNA. It is toxic to rats with an intravenous LD50 value of 450 mg/kg.
使用Gilvocarcin M is the minor analogue of a complex of C-glycoside antitumour actives isolated from a Streptomyces sp.. Gilvocarcin M contains a methyl group in the 8-position, and is less active than the vinyl analogue (gilvocarcin V), which is thought to act as an inhibitor of human topoisomerase II. Gilvocarcin M displays potent antibacterial, antifungal, antiviral and antitumour activity. Recent research suggests that the gilvocarcins act as photoactivated crosslinkers of DNA to histones.
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