Name: (E/Z)-10-Hydroxy-2-decenoic acid
Rating: 5 (10 reviews)

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HIT ID:HIT219228904
Cas No:176182-04-0
常用名:(E/Z)-10-Hydroxy-2-decenoic acid
常用名:(E/Z)-10-Hydroxy-2-decenoic acid
别名:10-Hydroxy-2-decenoic acid
IUPAC:(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-({[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4S,5S,6S)-4-{[(2S,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-5-{[(2S,3R,4S,5R)-3,5-dihydroxy-4-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-6-methyloxan-2-yl]oxy}-5-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy}-6-methyl-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}carbonyl)-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid
IUPAC:(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-({[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4S,5S,6S)-4-{[(2S,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-5-{[(2S,3R,4S,5R)-3,5-dihydroxy-4-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-6-methyloxan-2-yl]oxy}-5-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy}-6-methyl-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}carbonyl)-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid
InChI key:WZOBMHJVDKLZQM-YYYQSLJOSA-N

分子式:C79H118O38
分子量:1675.775
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(CO)C2=CC[C@]2([H])[C@@]3(C)C[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@](C)(C(O)=O)[C@]3([H])CC[C@@]12C)C(=O)O[C@@H]1O[C@H](C)[C@H](OC(=O)\C=C\c2ccc(OC)cc2)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H](O[C@@H]2OC[C@@](O)(CO)[C@H]2O)[C@H]1O
SMILES:[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(CO)C2=CC[C@]2([H])[C@@]3(C)C[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@](C)(C(O)=O)[C@]3([H])CC[C@@]12C)C(=O)O[C@@H]1O[C@H](C)[C@H](OC(=O)\C=C\c2ccc(OC)cc2)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H](O[C@@H]2OC[C@@](O)(CO)[C@H]2O)[C@H]1O

(E/Z)-10-Hydroxy-2-decenoic acid 是(E)-10-Hydroxy-2-decenoic acid(Royal Jelly acid)的混合异构体。(E/Z)-10-Hydroxy-2-decenoic acid是一种不饱和中链脂肪酸，对S. aureus等细菌具有抑菌作用(MIC=23 μM)，对L-02和IMR-90细胞具有抑制活性，IC50的值分别为44 μM和22.68 μM。

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