Name: Anisofolin A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213885795
Cas No:83529-71-9
常用名:Anisofolin A
IUPAC:[(2R,3R,4S,5R,6S)-3,5-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
IUPAC:[(2R,3R,4S,5R,6S)-3,5-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
InChI key:LHMKSPOTCLVAKR-AVMIHGAISA-N

分子式:C39H32O14
分子量:724.671
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)cc2)O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@H]1OC(=O)\C=C\c1ccc(O)cc1
SMILES:O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)cc2)O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@H]1OC(=O)\C=C\c1ccc(O)cc1

Anisofolin A has promising antimalarial activity (IC50 4.39 ± 0.25 uM). It has promising antimycobacterium activity [IC50 4.50 ± 0.75 uM (3.31 ug/mL)] against M. tuberculosis H37Ra and at 100 ug/mL, shows 55.6 % inhibition of M. bovis.

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