Name: Mithramycin A
Rating: 5 (10 reviews)

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HIT ID:HIT212038983
Cas No:18378-89-7
常用名:Mithramycin A
别名:光辉霉素, Plicamycin
IUPAC:(2S,3S)-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-6-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-8,9-dihydroxy-7-methyl-1,2,3,4-tetrahydroanthracen-1-one
IUPAC:(2S,3S)-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-6-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-8,9-dihydroxy-7-methyl-1,2,3,4-tetrahydroanthracen-1-one
InChI key:CFCUWKMKBJTWLW-BKHRDMLASA-N

分子式:C52H76O24
分子量:1085.156
氢键供体数 (HBD):11
氢键受体数 (HBA):24
LogP:2.072891
SMILES:[H][C@@]1(C[C@@H](O)[C@H](O)[C@@H](C)O1)O[C@@H]1C[C@]([H])(Oc2cc3cc4C[C@@]([H])([C@H](OC)C(=O)[C@@H](O)[C@@H](C)O)[C@H](O[C@@]5([H])C[C@@H](O[C@@]6([H])C[C@@H](O[C@@]7([H])C[C@](C)(O)[C@H](O)[C@@H](C)O7)[C@@H](O)[C@@H](C)O6)[C@H](O)[C@@H](C)O5)C(=O)c4c(O)c3c(O)c2C)O[C@H](C)[C@H]1O
SMILES:[H][C@@]1(C[C@@H](O)[C@H](O)[C@@H](C)O1)O[C@@H]1C[C@]([H])(Oc2cc3cc4C[C@@]([H])([C@H](OC)C(=O)[C@@H](O)[C@@H](C)O)[C@H](O[C@@]5([H])C[C@@H](O[C@@]6([H])C[C@@H](O[C@@]7([H])C[C@](C)(O)[C@H](O)[C@@H](C)O7)[C@@H](O)[C@@H](C)O6)[C@H](O)[C@@H](C)O5)C(=O)c4c(O)c3c(O)c2C)O[C@H](C)[C@H]1O

Mithramycin A (Plicamycin) 是一种dna 结合的抗肿瘤抗生素，选择性特异性蛋白1 (Sp1)抑制剂，通过降低Sp1蛋白抑制多种肿瘤的生长。特异性蛋白1 (Sp1)是一种锌指转录因子，调节多种细胞功能，促进肿瘤进展。

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