Quinovic acid | CAS 465-74-7 | AnyMole

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HIT213887196

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HIT213887196

HIT ID:HIT213887196
Cas No:465-74-7
常用名:Quinovic acid
IUPAC:(1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a,6a-dicarboxylic acid
IUPAC:(1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a,6a-dicarboxylic acid
InChI key:OJUYFGQEMPENCE-DPKHZRJYSA-N

分子式:C30H46O5
分子量:486.693
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@H]1CC[C@@]2(CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |c:11|
SMILES:C[C@@H]1CC[C@@]2(CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |c:11|

Quinovic acid shows some anti-tumour activities, quinovic acid glycosides have a potent inhibitory effect on the growth of human bladder cancer cell lines by inducing apoptosis through modulation of NF-ÎºB.

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