Hibarimicin B | Angelmicin B | CAS 151687-86-4

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HIT ID:HIT219618910
Cas No:151687-86-4
常用名:Hibarimicin B
别名:Angelmicin B
IUPAC:5-({5-[(5-acetyl-5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-15-[9-({5-[(5-acetyl-5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-7-[(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-[(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-({5-[(5-acetyl-5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-15-[9-({5-[(5-acetyl-5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-7-[(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-[(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:InChIKey=XGHSXRXEPCUHTN-UHFFFAOYSA-N

分子式:C85H112O37
分子量:1725.794
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCCC12OC3C(C(OC4CC(O)C(O)C(C)O4)C(O)C1OC1CCC(OC4CCC(O)(C(C)O4)C(C)=O)C(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(OC1CC(O)C(O)C(C)O1)C(O)C(OC1CCC(OC2CCC(O)(C(C)O2)C(C)=O)C(C)O1)C4(O)CCC
SMILES:CCCC12OC3C(C(OC4CC(O)C(O)C(C)O4)C(O)C1OC1CCC(OC4CCC(O)(C(C)O4)C(C)=O)C(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(OC1CC(O)C(O)C(C)O1)C(O)C(OC1CCC(OC2CCC(O)(C(C)O2)C(C)=O)C(C)O1)C4(O)CCC

Hibarimicin B (Angelmicin B) 是一种抑制 src 酪氨酸激酶活性的酪氨酸激酶抑制剂，不影响蛋白激酶 A 和 C，并对革兰氏阳性菌表现出中等抗菌活性，MIC 为 0.8-12.56 μg/mL。

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