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藤黄酸 | 2752-65-0

藤黄酸
Gambogic acid
2752-65-0
C38H44O8
628.75
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:藤黄酸结构式
藤黄酸MSDS
329799975
藤黄酸价格
简介
Gambogic Acid (Beta-Guttiferrin) 来自 Garcinia hanburyi 树的藤黄树脂。Gambogic Acid (Beta-Guttiferrin) 抑制 Bcl-XL,Bcl-2,Bcl-W,Bcl-B,Bfl-1 和 Mcl-1,IC50 分别为 1.47 μM,1.21 μM,2.02 μM,0.66 μM,1.06 μM 和 0.79 μM。
名称和标识符
MDL MFCD16878985
InChIKey GEZHEQNLKAOMCA-UHFFFAOYSA-N
Inchi 1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)
SMILES O1C(C([H])([H])[H])(C([H])([H])[H])C2([H])C([H])([H])C3([H])C([H])=C4C(C5C(=C6C([H])=C([H])C(C([H])([H])[H])(C([H])([H])C([H])([H])/C(/[H])=C(\C([H])([H])[H])/C([H])([H])[H])OC6=C(C([H])([H])/C(/[H])=C(\C([H])([H])[H])/C([H])([H])[H])C=5OC24C1(C([H])([H])C([H])=C(C(=O)O[H])C([H])([H])[H])C3=O)O[H])=O
别名信息
- 中文别名 -
  • 藤黄酸
  • zzstandard 品牌 藤黄酸对照品
  • 藤黄酸 A
  • 藤黄酸(标准品)
  • 藤黄酸(鉴别用)
  • 藤黄酸,Gambogic acid,植物提取物,标准品,对照品
  • 藤黄酸标准品
  • 藤黄酸对照品
  • 藤黄酸,Gambogic acid
  • 盐酸佐柔比星.盐酸柔红霉素
  • 藤黄酸(标准品)
  • GAMBOGIC ACID 藤黄酸
  • 藤黄酸 25MG
  • 藤黄酸, 一种半胱天冬酶抑制剂
  • 藤黄酸(鉴别用)
  • 藤黄酸, 97%(HPLC)
  • 藤黄酸(对照品)
- 英文别名 -
  • gambogic acid
  • Beta-Guttiferrin
  • GAMBOGIC ACID(AS)
  • cambogicacid
  • GUTTATIC ACID
  • GUTTIC ACID
  • 1,5-Methano-1H,3H,11H-furo(3,4-g)pyrano(3,2-b)xanthene-1-crotonic acid
  • B"-Guttiferrin
  • Beta-Guttilactone
  • AK160232
  • CID 126963722
  • GAMBOGICACID
  • Isogambogic acid
  • Spectrum_000175
  • Spectrum2_000388
  • Spectrum3_000707
  • Spectrum4_001940
  • KBioGR_002321
  • KBioSS_000655
  • DivK1c_001020
  • SPBio_000575
  • KBio1_001020
  • KBio2_000655
  • KBio2_003223
  • KBio2_005791
  • KBio3_001713
  • NINDS_001020
  • Cambogic acid
  • Guttatic acid
  • Guttic acid
  • GaMbogic aci
  • BETA-GUTTIFERIN
  • BETA-GUTTILACTONE
  • GAMBOGIC ACID
  • β-Guttilactone
  • Gambogic acid, 95%, a caspases activator
  • 2-Butenoic acid, 2-methyl-4-[(1R,3aS,5S,11R,14aS)-3a,4,5,7-tetrahydro-8-hydroxy-3,3,11-trimethyl-13-(3-methyl-2-buten-1-yl)-11-(4-methyl-3-penten-1-yl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-, (2Z)-
  • Gambogic Acid
  • (Z)-4-[(1S,2S,8R,17S,19R)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid
  • s2448
  • CHEMBL555017
  • Gambogic-acid
  • UNII-8N585K83U2
  • AC-34804
  • Gambogic acid, >=95% (HPLC), powder
  • BDBM50366237
  • (-)-Gambogic Acid
  • BCP21539
  • Q5519727
  • SCHEMBL16160279
  • DTXSID101029723
  • B''-Guttiferin
  • .beta.-Guttiferin
  • alpha-Gambogic acid
  • MFCD16878985
  • 2-BUTENOIC ACID, 2-METHYL-4-((1R,3AS,5S,11R,14AS)-3A,4,5,7-TETRAHYDRO-8-HYDROXY-3,3,11-TRIMETHYL-13-(3-METHYL-2-BUTEN-1-YL)-11-(4-METHYL-3-PENTEN-1-YL)-7,15-DIOXO-1,5-METHANO-1H,3H,11H-FURO(3,4-G)PYRANO(3,2-B)XANTHEN-1-YL)-, (2Z)-
  • A-Guttilactone
  • CHEBI:67521
  • 8N585K83U2
  • H10129
  • BP-22199
  • GEZHEQNLKAOMCA-RRZNCOCZSA-N
  • GAMBOGIC ACID [MI]
  • CS-1456
  • (2Z)-2-METHYL-4-((1R,3AS,5S,11R,14AS)-3A,4,5,7-TETRAHYDRO-8-HYDROXY-3,3,11-TRIMETHYL-13-(3-METHYL-2-BUTEN-1-YL)-11-(4-METHYL-3-PENTEN-1-YL)-7,15-DIOXO-1,5-METHANO-1H,3H,11H-FURO(3,4-G)PYRANO(3,2-B)XANTHEN-1-YL)-2-BUTENOIC ACID
  • (Z)-4-((1S,3aR,5S,11R,14aS)-8-hydroxy-2,2,11-trimethyl-13-(3-methylbut-2-en-1-yl)-11-(4-methylpent-3-en-1-yl)-4,7-dioxo-1,2,5,7-tetrahydro-11H-1,5-methanofuro[3,2-g]pyrano[3,2-b]xanthen-3a(4H)-yl)-2-methylbut-2-enoic acid
  • A-Guttiferin
  • CCG-270284
  • 2752-65-0
  • HY-N0087
  • beta-Guttiferin
  • 1,5-Methano-1H,3H,11H-furo(3,4-g)pyrano(3,2-b)xanthene-1-crotonic acid, 3a,4,5,7-tetrahydro-8-hydroxy-alpha,3,3,11-tetramethyl-13-(3-methyl-2-butenyl)-11-(4-methyl-3-pentenyl)-7,15-dioxo-, (Z)-
  • AKOS024463359
  • R-gambogic acid
  • C10062
  • FS-8507
  • SCHEMBL3857525
  • J-016801
  • 149655-52-7
  • I07-0200
  • SureCN3857525
  • (Z)-4-[(2S,8R)-12-Hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid
  • 4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid
  • NS00018046
  • BRD-A37011749-001-03-1
  • AS-49327
  • (E)-4-[(1S,2S,8R,17S,19R)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid
物化性质
实验特性
LogP 7.23930
PSA 119.36000
折射率 1.5290 (estimate)
沸点 808.9℃/760mmHg
熔点 88.5°C
闪点 251.4±27.8 °C
溶解度 DMSO: ≥10mg/mL
颜色与性状 Yellow cryst.
酸度系数(pKa) 4.58±0.36(Predicted)
比旋光度 D20 -685° (methanol)
密度 1.1057 (rough estimate)
计算特性
精确分子量 628.30400
氢键供体数量 2
氢键受体数量 8
可旋转化学键数量 8
同位素质量 628.30361836 g/mol
重原子数量 46
复杂度 1490
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 5
确定化学键立构中心数量 0
不确定化学键立构中心数量 1
共价键单元数量 1
疏水参数计算参考值(XlogP) 7.3
拓扑分子极性表面积 119
分子量 628.7
海关数据
海关编码 2942000000
海关数据

中国海关编码:

2942000000
生产方法和用途
用途 1、藤黄酸具有抗癌的作用,对乳腺癌、淋巴瘤、皮肤癌、胃癌均有一定疗效。
专业数据库参考
PubChemId 329799975
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