HCID6437358

Rhizoxin

(1S,3S,5R,8S,10S,11R,13R,14E,16R,17R)-10-hydroxy-8-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo[15.3.1.03,5.011,13]henicos-14-ene-6,19-dione

C35H47NO9625.7 g/molCAS 90996-54-6

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IDENTITY

结构与身份

标准SMILES: CO[C@@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@H]2C[C@H](CC(=O)O2)C[C@@H]2O[C@H]2C(=O)O1
InChIKey: OWPCHSCAPHNHAV-QIPOKPRISA-N
分子式: C35H47NO9
平均分子量: 625.7 g/mol
单同位素质量: 625.32508208

COMPUTED

结构计算性质

已同步

XLogP: 5.5
极性表面积: 133 Å²
氢键供体: 1
氢键受体: 10
可旋转键: 7
重原子: 45
形式电荷: 0
复杂度: 1,210

PROPERTIES

实验与物化性质

来源：PubChem

Solubility

H2O < 1 (mg/mL)

MeOH > 50 (mg/mL)

CHC13 > 50 (mg/mL)

Optical Rotation

(c = 0.5, CH3OH) [a]23D 160 ± 4°

Stability/Shelf Life

Bulk: HPLC analysis indicated that the bulk chemical is unstable under both light and dark conditions at room temperature and at 50 °C. Freezer storage is recommended. Solution: The compound is unstable in a solution of DMF/H (40/60,v/v) through 72 hours. The t was 5.2 hours.

PHARMACOLOGY

药理信息

来源：PubChem

MeSH Pharmacological Classification

Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.

Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.

Agents that interact with TUBULIN to inhibit or promote polymerization of MICROTUBULES.

ALIASES

名称与别名

共 36 条

Rhizoxin90996-54-6Antibiotic WF-1360WF-1360C1V1Y784E4NSC-332598FR-900216CHEBI:72590DTXSID20897515(1S,3S,5R,8S,10S,11R,13R,14E,16R,17R)-10-hydroxy-8-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo[15.3.1.03,5.011,13]henicos-14-ene-6,19-dioneNSC332598(1S,3S,5R,8S,10S,11R,13R,14E,16R,17R)-10-hydroxy-8-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo[15.3.1.0(3,5).0(11,13)]henicos-14-ene-6,19-dione(1S,3S,5R,8S,10S,11R,13R,14E,16R,17R)-10-hydroxy-8-((2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl)-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo(15.3.1.0(3,5).0(11,13))henicos-14-ene-6,19-dione(1S,3S,5R,8S,10S,11R,13R,14E,16R,17R)-10-hydroxy-8-((2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl)-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo(15.3.1.03,5.011,13)henicos-14-ene-6,19-dioneWF1360RefChem:179218DTXCID901326870NSC 332598BRN 5692896UNII-C1V1Y784E4

REACTIONS

参与反应

2 条

uspto-grants-1995_02 · 10.6084/m9.figshare.5104873.v1 · US05391564

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uspto-grants-1994_10 · 10.6084/m9.figshare.5104873.v1 · US05352689

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