Name: Apoptolidin
Rating: 5 (10 reviews)

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HIT ID:HIT214320684
Cas No:194874-06-1
常用名:Apoptolidin
IUPAC:(3E,5Z,7E,9R,10R,11Z,13E,17S,18S,20S)-10-{[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxy}-20-[(R)-[(2R,3R,4S,5R,6R)-2,4-dihydroxy-6-[(2R)-2-{[(2R,4S,5S,6S)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4,6-dimethyloxan-2-yl]oxy}-3-methoxypropyl]-3,5-dimethyloxan-2-yl](hydroxy)methyl]-17-hydroxy-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one
IUPAC:(3E,5Z,7E,9R,10R,11Z,13E,17S,18S,20S)-10-{[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxy}-20-[(R)-[(2R,3R,4S,5R,6R)-2,4-dihydroxy-6-[(2R)-2-{[(2R,4S,5S,6S)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4,6-dimethyloxan-2-yl]oxy}-3-methoxypropyl]-3,5-dimethyloxan-2-yl](hydroxy)methyl]-17-hydroxy-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one
InChI key:WILMROCKORZEMQ-DCWWCHMJSA-N

分子式:C58H96O21
分子量:1129.385
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(C[C@H](OC)[C@@H](O)CC\C=C(/C)\C=C/[C@@H](O[C@@H]2O[C@@H](C)[C@H](OC)[C@@H](O)[C@@H]2O)[C@H](C)\C=C(/C)\C=C(\C)/C=C(C)/C(=O)O1)[C@@H](O)[C@]1(O)O[C@H](C[C@H](COC)O[C@H]2C[C@](C)(O)[C@@H](O[C@H]3C[C@@H](OC)[C@H](O)[C@@H](C)O3)[C@H](C)O2)[C@H](C)[C@H](O)[C@H]1C |c:10,13,31,37,t:34|
SMILES:[H][C@]1(C[C@H](OC)[C@@H](O)CC\C=C(/C)\C=C/[C@@H](O[C@@H]2O[C@@H](C)[C@H](OC)[C@@H](O)[C@@H]2O)[C@H](C)\C=C(/C)\C=C(\C)/C=C(C)/C(=O)O1)[C@@H](O)[C@]1(O)O[C@H](C[C@H](COC)O[C@H]2C[C@](C)(O)[C@@H](O[C@H]3C[C@@H](OC)[C@H](O)[C@@H](C)O3)[C@H](C)O2)[C@H](C)[C@H](O)[C@H]1C |c:10,13,31,37,t:34|

Apoptolidin is an apoptosis inducer originally isolated from Nocardiopsis bacteria. It inhibits the mitochondrial F1FO ATPase (Ki = 4-5 μM). Apoptolidin selectively kills transformed glial cells without significantly affecting untransformed cells. It also has antibiotic and antifungal actions.

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