Name: Rotundic acid
Rating: 5 (10 reviews)

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HIT ID:HIT212664751
Cas No:20137-37-5
常用名:Rotundic acid
别名:铁冬青酸, Rutundic acid
IUPAC:(1R,2R,4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
IUPAC:(1R,2R,4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
InChI key:YLHQFGOOMKJFLP-LTFXOGOQSA-N

分子式:C30H48O5
分子量:488.709
氢键供体数 (HBD):4
氢键受体数 (HBA):5
LogP:4.063781
SMILES:C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O |c:9|
SMILES:C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O |c:9|

Rotundic acid (Rutundic acid) 是一种从圆形肠球菌中获得的三萜类天然产物，具有抗炎和保护心脏的能力。它可通过 AKT/mTOR 和 MAPK 途径在肝细胞癌中诱导 DNA 损伤和细胞凋亡。

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