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HIT219599964
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HIT219599964
  • HIT ID:HIT219599964
  • Cas No:208588-87-8
  • 常用名:Hibarimicin D
  • IUPAC:5-{[(2S,5S,6R)-5-{[(2R,4R,5S,6S)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-15-(9-{[(2S,5S,6R)-5-{[(2R,5S,6S)-5-acetyl-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-7-{[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,8,10,10a,12-pentahydroxy-3,4-dimethoxy-11-oxo-10-propyl-6,6a,7,8,9,10,10a,11-octahydrotetracen-2-yl)-7-{[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-6,9,12,19-tetrahydroxy-16-methoxy-4-propyl-3-oxapentacyclo[9.8.0.0^{2,8}.0^{4,9}.0^{13,18}]nonadeca-1(11),12,15,18-tetraene-10,14,17-trione
    IUPAC:5-{[(2S,5S,6R)-5-{[(2R,4R,5S,6S)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-15-(9-{[(2S,5S,6R)-5-{[(2R,5S,6S)-5-acetyl-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-7-{[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,8,10,10a,12-pentahydroxy-3,4-dimethoxy-11-oxo-10-propyl-6,6a,7,8,9,10,10a,11-octahydrotetracen-2-yl)-7-{[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-6,9,12,19-tetrahydroxy-16-methoxy-4-propyl-3-oxapentacyclo[9.8.0.0^{2,8}.0^{4,9}.0^{13,18}]nonadeca-1(11),12,15,18-tetraene-10,14,17-trione
  • InChI key:NBQIPBWBWLRUKS-ADTODSHXSA-N
  • 分子式:C85H112O38
  • 分子量:1741.793
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CCCC12OC3C(C(O[C@H]4C[C@@H](O)[C@@H](O)[C@H](C)O4)C(O)C1O[C@H]1CC[C@H](O[C@H]4C[C@@H](O)[C@](O)([C@H](C)O4)C(C)=O)[C@@H](C)O1)C2(O)C(=O)c1c(O)c2C(=O)C(=C(OC)C(=O)c2c(O)c31)c1c(O)c2c(O)c3C(=O)C4(O)C(Cc3cc2c(OC)c1OC)C(O[C@H]1C[C@@H](O)[C@@H](O)[C@H](C)O1)C(O)C(O[C@H]1CC[C@H](O[C@H]2CC[C@](O)([C@H](C)O2)C(C)=O)[C@@H](C)O1)C4(O)CCC
    SMILES:CCCC12OC3C(C(O[C@H]4C[C@@H](O)[C@@H](O)[C@H](C)O4)C(O)C1O[C@H]1CC[C@H](O[C@H]4C[C@@H](O)[C@](O)([C@H](C)O4)C(C)=O)[C@@H](C)O1)C2(O)C(=O)c1c(O)c2C(=O)C(=C(OC)C(=O)c2c(O)c31)c1c(O)c2c(O)c3C(=O)C4(O)C(Cc3cc2c(OC)c1OC)C(O[C@H]1C[C@@H](O)[C@@H](O)[C@H](C)O1)C(O)C(O[C@H]1CC[C@H](O[C@H]2CC[C@](O)([C@H](C)O2)C(C)=O)[C@@H](C)O1)C4(O)CCC
  • Hibarimicin D 是一种酪氨酸激酶抑制剂,选择性抑制 src 酪氨酸激酶活性,并且对革兰氏阳性菌表现出中等抗菌活性,最低抑制浓度 (MIC) 为 0.8-12.56 μg/mL。
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