Name: Sootepin D
Rating: 5 (10 reviews)

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sdf 文件

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类似物检索

HIT ID:HIT212670473
Cas No:1154518-97-4
常用名:Sootepin D
IUPAC:methyl 3-[(1S,4R,5R,8S,9S,12R,13R)-12-(3-hydroxyprop-1-en-2-yl)-4,8-dimethyl-5-[(2R,5E)-6-methyl-7-oxohept-5-en-2-yl]tetracyclo[7.5.0.0^{1,13}.0^{4,8}]tetradecan-13-yl]propanoate
IUPAC:methyl 3-[(1S,4R,5R,8S,9S,12R,13R)-12-(3-hydroxyprop-1-en-2-yl)-4,8-dimethyl-5-[(2R,5E)-6-methyl-7-oxohept-5-en-2-yl]tetracyclo[7.5.0.0^{1,13}.0^{4,8}]tetradecan-13-yl]propanoate
InChI key:ILOHMDKQENYFEG-YSIJHDMVSA-N

分子式:C31H48O4
分子量:484.721
氢键供体数 (HBD):1
氢键受体数 (HBA):3
LogP:5.6170325
SMILES:[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@@H](C(=C)CO)[C@@]4(CCC(=O)OC)C[C@@]34CC[C@]12C)[C@H](C)CC\C=C(/C)C=O
SMILES:[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@@H](C(=C)CO)[C@@]4(CCC(=O)OC)C[C@@]34CC[C@]12C)[C@H](C)CC\C=C(/C)C=O

Sootepin D is a triterpene from the apical bud of Gardenia sootepensis, and is TNF-α-induced NF-κB inhibitor(IC50 of 8.3μM),with anti-inflammatory activity.

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