Name: 2,3-Indolobetulonic Acid
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214321851
Cas No:905837-93-6
常用名:2,3-Indolobetulonic Acid
IUPAC:(1R,2R,14R,17R,18R,21S,24R,25R,26R)-2,13,13,17,18-pentamethyl-24-(prop-1-en-2-yl)-11-azaheptacyclo[15.11.0.0^{2,14}.0^{4,12}.0^{5,10}.0^{18,26}.0^{21,25}]octacosa-4(12),5,7,9-tetraene-21-carboxylic acid
IUPAC:(1R,2R,14R,17R,18R,21S,24R,25R,26R)-2,13,13,17,18-pentamethyl-24-(prop-1-en-2-yl)-11-azaheptacyclo[15.11.0.0^{2,14}.0^{4,12}.0^{5,10}.0^{18,26}.0^{21,25}]octacosa-4(12),5,7,9-tetraene-21-carboxylic acid
InChI key:CDWIUZGUDGQYDS-HIFHRDMOSA-N

分子式:C36H49NO2
分子量:527.793
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)Cc4c([nH]c5ccccc45)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C
SMILES:[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)Cc4c([nH]c5ccccc45)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C

2,3-Indolobetulonic acid is pentacyclic triterpenoid derivative of betulonic acid and an inhibitor of α-glucosidase (IC50= 1.8 μM).1

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