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竹红菌甲素 | 77029-83-5

竹红菌甲素结构式图片|77029-83-5结构式图片
竹红菌甲素
Hypocrellin a
77029-83-5
C30H26O10
546.5214
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:竹红菌甲素结构式
3664
竹红菌甲素价格
简介
Hypocrellin A,一种天然的 PKC 抑制剂,具有许多生物学和药理学特性,如抗肿瘤、抗病毒、抗菌和抗利尿活性。Hypocrellin A 是一种很有前途的抗癌光动力疗法 (PDT) 光敏剂。
名称和标识符
MDL MFCD00467740
InChIKey VANSZAOQCMTTPB-RNAHPLFWSA-N
Inchi 1S/C30H26O10/c1-10(31)25-24-22-16-11(9-30(25,2)36)28(39-5)26(34)17-12(32)7-14(37-3)19(21(16)17)20-15(38-4)8-13(33)18(23(20)22)27(35)29(24)40-6/h7-8,25,34-36H,9H2,1-6H3/t25-,30+/m1/s1
SMILES O([H])[C@@]1(C([H])([H])[H])C([H])([H])C2C(=C(C3C(C([H])=C(C4=C5C(=C([H])C(C6C(=C(C(=C(C5=6)C=2C4=3)[C@@]1([H])C(C([H])([H])[H])=O)OC([H])([H])[H])O[H])=O)OC([H])([H])[H])OC([H])([H])[H])=O)O[H])OC([H])([H])[H]
别名信息
- 中文别名 -
  • 竹红菌甲素
  • 竹红菌甲素对照品
  • 竹红菌素A
- 英文别名 -
  • 1H-Cyclohepta[ghi]perylene-5,12-dione,1-acetyl-2,3-dihydro-2,6,11-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-,stereoisomer
  • 1H-Cyclohepta[ghi]perylene-5,12-dione,1-acetyl-2,3-dihydro-2,6,11-trihydroxy-4,8,9,13-tetramet...
  • HYPOCRELLIN A
  • HYPOCRELLIN
  • Rel-Hypocrellin A
  • API0016540
  • Hypocrellin A
  • (12R,13S)-12-acetyl-9,13,17-trihydroxy-5,10,16,21-tetramethoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2(11),3(8),4(22),5,9,16,18(23),20-nonaene-7,19-dione
  • AC-35108
  • AKOS037514693
  • CHEBI:212931
  • BDBM50568789
  • 77029-83-5
  • (11R,12S)-11-acetyl-3,9,12-trihydroxy-1,5,6,10-tetramethoxy-12-methyl-12,13-dihydro-2H-cyclohepta[ghi]perylene-2,8(11H)-dione
  • CHEMBL330348
  • AKOS040758807
  • hypocrellin a
  • SR-05000002189-2
  • Q27291651
  • 1H-Cyclohepta(ghi)perylene-5,11-dione, 1-acetyl-2,3-dihydro-2,6,12-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-, (1R,2S)-rel-
  • V86371B0XS
  • (12S,13R)-12-acetyl-9,13,17-trihydroxy-5,10,16,21-tetramethoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2(11),3(8),4(22),5,9,16,18(23),20-nonaene-7,19-dione
  • 1H-CYCLOHEPTA(GHI)PERYLENE- 5,11-DIONE, 1-ACETYL-2,3-DIHYDRO-2,6,12- TRIHYDROXY-4,8,9,13-TETRAMETHOXY-2-METHYL-, CIS-
  • CHEMBL1607532
  • NCGC00163655-01
  • CCG-208582
  • DTXSID80998310
  • 1-acetyl-2,5,12-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-2,3-dihydro-1H-cyclohepta[ghi]perylene-6,11-dione
  • SR-05000002189
  • CHEBI:207323
  • 1H-CYCLOHEPTA(GHI)PERYLENE-5,12-DIONE, 1-ACETYL-2,3-DIHYDRO-2,6,11-TRIHYDROXY-4,8,9,13-TETRAMETHOXY-2-METHYL-
  • UNII-V86371B0XS
  • Hypocrellin
  • CHEMBL4792950
  • 1H-Cyclohepta(ghi)perylene-5,11-dione, 1-acetyl-2,3-dihydro-2,6,12-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-, cis-
  • SCHEMBL13478188
  • CHEMBL4174675
  • CHEBI:206195
  • 1-Acetyl-2,6,11-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-2,3-dihydro-1H-cyclohepta[ghi]perylene-5,12-dione
  • acetyl-trihydroxy-tetramethoxy-methyl-[?]dione
  • NSC-635470
  • (12R,13S)-12-acetyl-9,13,17-trihydroxy-5,10,16,21-tetramethoxy-13-methylhexacyclo[13.8.0.0^{2,11.0^{3,8.0^{4,22.0^{18,23]tricosa-1(15),2(11),3(8),4(22),5,9,16,18(23),20-nonaene-7,19-dione
  • 12-acetyl-9,13,17-trihydroxy-5,10,16,21-tetramethoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2(11),3(8),4(22),5,9,16,18(23),20-nonaene-7,19-dione
  • SCHEMBL14600287
  • AS-83271
  • HY-N2575
  • CS-0022912
  • E0010
  • FT-0777753
  • AKOS040758769
  • Isohypocrelline
  • NSC635470
  • 11-Acetyl-3,8,12-trihydroxy-1,5,6,10-tetramethoxy-12-methyl-12,13-dihydro-2H-cyclohepta[ghi]perylene-2,9(11H)-dione
物化性质
实验特性
LogP 3.98610
PSA 148.82000
折射率 1.737
沸点 894°C at 760 mmHg
熔点 245-250 ºC
蒸气压 0.0±0.3 mmHg at 25°C
闪点 299.9±27.8 °C
颜色与性状 Red powder
密度 1.6±0.1 g/cm3
计算特性
精确分子量 546.15300
氢键供体数量 3
氢键受体数量 10
可旋转化学键数量 5
同位素质量 546.15259702 g/mol
重原子数量 40
复杂度 1180
同位素原子数量 0
确定原子立构中心数量 1
不确定原子立构中心数量 1
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 4
拓扑分子极性表面积 149
分子量 546.5
专业数据库参考
PubChemId 3664
参考资料
Reaxys RN
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