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蕈青霉素 | 57186-25-1

蕈青霉素结构式图片|57186-25-1结构式图片
蕈青霉素
Paxilline
57186-25-1
C27H33NO4
435.5552
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:蕈青霉素结构式
105008
蕈青霉素价格
简介
Paxilline 是一种来自 Penicillium paxilli 的吲哚生物碱霉菌毒素,通过封闭通道的阻断机制有效地抑制 BK 通道。 Paxilline 也能抑制肌质网 Ca2+ 刺激的 ATP 酶 (SERCA),对不同亚型的 SERCA 作用的 IC50 值为介于 5 μM-50 μM 之间。 Paxilline 具有显着的抗惊厥活性。
名称和标识符
InChIKey ACNHBCIZLNNLRS-UHFFFAOYSA-N
Inchi 1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3
SMILES O([H])C12C3=C([H])C(C([H])(C(C([H])([H])[H])(C([H])([H])[H])O[H])OC3([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C1(C([H])([H])[H])C3=C(C4=C([H])C([H])=C([H])C([H])=C4N3[H])C([H])([H])C1([H])C([H])([H])C2([H])[H])=O
别名信息
- 中文别名 -
  • 蕈青霉素
- 英文别名 -
  • 2H-Pyrano[2'',3'':5',6']benz[1',2':6,7]indeno[1,2-b]indol-3(4bH)-one,5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-,(2R,4bS,6aS,12bS,12cR,14aS)-
  • 2H-Pyrano[2'',3'':5',6']benz[1',2':6,7]indeno[1,2-b]indol-3(4bH)-one,5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-(1-
  • 2H-Pyrano[2'',3'':5',6']benz[1',2':6,7]indeno[1,2-b]indol-3(4bH)-one,5,6,6a,7,12,12b,12c,13,14...
  • Paxilline
  • PAXILLINE FROM PENICILLIUM PAXILLI
  • Paxilline solution
  • Paxilline,(2R,4bS,6aS,12bS,12cR,14aS)-5,6,6a,7,12,12b,12c,13,14,14a-Decahydro-4b-hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-2H-pyrano[2'',3'':5',6']benz[1',2':6,7]indeno[1,2-b]indol-3(4bH)-o
  • DPNI-caged-GABA
  • PAXILINE
  • Paxilline 1
  • PAXILLINE,PENICILLIUM PAXILLI
  • (+)-Paxilline
  • Paxicillin
  • Paxillin
  • GTPL2309
  • BDBM86263
  • 4b-Hydroxy-2-(1-hydroxy-1-methylethyl)-1
  • 4b-Hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2H-c
  • NSC-658707
  • KBio2_000147
  • HMS1989H09
  • NCGC00025342-07
  • CHEBI:34907
  • DTXSID10972643
  • NS00010358
  • KBio2_005283
  • SR-01000597527-1
  • NSC 658707
  • 3T9U9Z96L7
  • BRD-K38251852-001-02-5
  • F82145
  • paxillin
  • HMS3268F05
  • CBiol_001842
  • (2R,4bS,6aS,12bS,12cR,14aS)-5,6,6a,7,12,12b,12c,13,14,14a-Decahydro-4b-hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-2H-pyrano[2'',3'':5',6']benz[1',2':6,7]indeno[1,2-b]indol-3(4bH)-one
  • 2H-Pyrano[2'',3'':5',6']benz[1',2':6,7]indeno[1,2-b]indol-3(4bH)-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-, (2R,4bS,6aS,12bS,12cR,14aS)-rel-
  • KBio2_002715
  • Bio2_000147
  • HMS1361H09
  • HMS2232J18
  • (2R,4bS,6aS,12bS,12cR,14aS)-4b-hydroxy-2-(2-hydroxypropan-2-yl)-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-3(4bH)-one
  • AKOS024456907
  • CS-0026740
  • HB1056
  • SCHEMBL361232
  • 2H-1-Benzopyrano(5',6':6,7)indeno(1,2-b)indol-3(4bh)-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-, (2-alpha,4b-beta,6a-alpha,12b-beta,12c-alpha,14a-beta)-
  • cid_105008
  • BDBM50854
  • BRD-K38251852-001-06-6
  • KBio3_000293
  • HMS3402H09
  • EDD20523-48C0-4594-B22A-1FE297F60611
  • CHEMBL410063
  • (+)-paxilline
  • Bio1_000128
  • 2H-Pyrano(2'',3'':5',6')benz(1',2':6,7)indeno(1,2-b)indol-3(4bH)-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-, (2R,4bS,6aS,12bS,12cR,14aS)-
  • HY-N6778
  • NCGC00025342-07_C27H33NO4_(2R,4bS,6aS,12bS,12cR,14aS)-4b-Hydroxy-2-(2-hydroxy-2-propanyl)-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-3(4bH)-one
  • NCGC00025342-05
  • Q10860377
  • 57186-25-1
  • SMR000058863
  • C27H33NO4
  • 1233509-81-3
  • Spectrum5_001975
  • KC-155
  • MFCD00083464
  • (2R,4bS,6aS,12bS,12cR,14aS)-4b-hydroxy-2-(2-hydroxypropan-2-yl)-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2H-[1]benzopyrano[5',6':6,7]indeno[1,2-b]indol-3(4bH)-one
  • IDI1_033897
  • KBioSS_000147
  • (2R,4bS,6aS,12bS,12cR,14aS)-5,6,6a, 7,12,12b,12c,13,14,14a-Decahydro-4b-hydroxy-2-(1-h ydroxy-1-methylethyl)-12b,12c-dimethyl-2H-pyrano[2 '',3'':5',6']benz[1',2':6,7]indeno[1,2-b]indol-3(4bH)-one
  • MLS000028812
  • SR-01000597527
  • Bio1_001106
  • Bio1_000617
  • Bio2_000627
  • KBio3_000294
  • Paxilline, powder, >=98% (HPLC)
  • UNII-3T9U9Z96L7
  • BSPBio_001427
  • KBioGR_000147
  • HMS1791H09
  • paxilline
  • (1s,2r,5s,7r,11s,14s)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-8-one
  • BRN 5317894
  • 4b-Hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-3(4bH)-one
  • 2H-1-BENZOPYRANO[5',6':6,7]INDENO[1,2-B]INDOL-3(4BH)-ONE, 5,6,6A,7,12,12B,12C,13,14,14A-DECAHYDRO-4B-HYDROXY-2-(1-HYDROXY-1-METHYLETHYL)-12B,12C-DIMETHYL-, (2R,4BS,6AS,12BS,12CR,14AS)-
  • 2H-1-Benzopyrano(5',6':6,7)indeno(1,2-b)indol-3(4bH)-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-, (2-.alpha.,4b-.beta.,6a-.alpha.,12b-.beta.,12c-.alpha.,14a-.beta.)-
  • FT-0630697
  • 2H-1-Benzopyrano[5',6':6,7]indeno[1,2-b]indol-3(4bH)-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-, [2R-(2.alpha.,4b.beta.,6a.alpha.,12b.beta.,12c.alpha.,14a.beta.)]-
  • 4b-Hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-3(4bh)-one #
  • NCGC00168476-01
  • CAS_57186-25-1
  • 11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0^{2,11}.0^{5,10}.0^{16,24}.0^{17,22}]tetracosa-9,16(24),17,19,21-pentaen-8-one
  • ACNHBCIZLNNLRS-UHFFFAOYSA-N
  • 11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-8-one
  • hydroxy-(1-hydroxy-1-methyl-ethyl)-dimethyl-[?]one
  • AKOS040737282
  • Compound NP-024130
  • BS-1489
物化性质
实验特性
LogP 3.95670
PSA 82.55000
闪点 2℃
溶解度 Insuluble (8.7E-4 g/L) (25 ºC),
颜色与性状 淡黄色粉末
溶解性 无可用
密度 1.31±0.1 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 435.24100
氢键供体数量 3
氢键受体数量 4
可旋转化学键数量 1
同位素质量 435.24095853g/mol
重原子数量 32
复杂度 868
同位素原子数量 0
确定原子立构中心数量 6
不确定原子立构中心数量 0
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) 3.5
表面电荷 0
拓扑分子极性表面积 82.6
海关数据
海关编码 29419090
相关文献
专业数据库参考
PubChemId 105008
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