Name: Kijanimicin
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214318030
Cas No:78798-08-0
常用名:Kijanimicin
IUPAC:methyl N-[(2R,3R,4S,6R)-6-{[(1S,3R,6S,7Z,9S,11Z,13S,16S,17S,18S,20S,21R,22S)-17-{[(2R,4R,5S,6S)-4-{[(2S,4R,5S,6S)-4-{[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-{[(2R,4R,5R,6S)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-27-hydroxy-4-(hydroxymethyl)-3,8,12,18,20,22-hexamethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.0^{1,6}.0^{13,22}.0^{16,21}]heptacosa-4,7,11,14,24(27)-pentaen-9-yl]oxy}-2,4-dimethyl-4-nitrooxan-3-yl]carbamate
IUPAC:methyl N-[(2R,3R,4S,6R)-6-{[(1S,3R,6S,7Z,9S,11Z,13S,16S,17S,18S,20S,21R,22S)-17-{[(2R,4R,5S,6S)-4-{[(2S,4R,5S,6S)-4-{[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-{[(2R,4R,5R,6S)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-27-hydroxy-4-(hydroxymethyl)-3,8,12,18,20,22-hexamethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.0^{1,6}.0^{13,22}.0^{16,21}]heptacosa-4,7,11,14,24(27)-pentaen-9-yl]oxy}-2,4-dimethyl-4-nitrooxan-3-yl]carbamate
InChI key:AAHYWTFSLXCSNH-QVGZJYIBSA-N

分子式:C67H100N2O24
分子量:1317.527
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C=C[C@@]3([H])\C(C)=C/C[C@H](O[C@H]4C[C@@](C)([C@@H](NC(=O)OC)[C@@H](C)O4)N(=O)=O)\C(C)=C/[C@]4([H])C=C(CO)[C@H](C)C[C@]44OC(=O)C(=C4O)C(=O)[C@@]3(C)[C@]1([H])[C@@H](C)C[C@H](C)[C@@H]2O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O[C@@H]3C[C@@H](O)[C@@H](OC)[C@H](C)O3)[C@H](C)O2)[C@@H](O)[C@H](C)O1 |c:2,7,30,46,t:34|
SMILES:[H][C@]12C=C[C@@]3([H])\C(C)=C/C[C@H](O[C@H]4C[C@@](C)([C@@H](NC(=O)OC)[C@@H](C)O4)N(=O)=O)\C(C)=C/[C@]4([H])C=C(CO)[C@H](C)C[C@]44OC(=O)C(=C4O)C(=O)[C@@]3(C)[C@]1([H])[C@@H](C)C[C@H](C)[C@@H]2O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O[C@@H]3C[C@@H](O)[C@@H](OC)[C@H](C)O3)[C@H](C)O2)[C@@H](O)[C@H](C)O1 |c:2,7,30,46,t:34|

Kijanimicin is an antitumor and antibiotic. It is a unique, large acid enol antibiotic and possesses an unusual in vitro spectrum of activity against some Gram-positive and anaerobic microorganisms. It has also shown interesting activity against malaria in vivo.

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