Name: 3,4-Secocucurbita-4,24-diene-3,26,29-trioic acid
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT213887563
Cas No:329975-47-5
常用名:3,4-Secocucurbita-4,24-diene-3,26,29-trioic acid
常用名:3,4-Secocucurbita-4,24-diene-3,26,29-trioic acid
IUPAC:(2E,6R)-6-[(3R,3aR,5aS,6S,9aR,9bS)-6-(2-carboxyethyl)-7-(1-carboxyethylidene)-3a,5a,9b-trimethyl-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
IUPAC:(2E,6R)-6-[(3R,3aR,5aS,6S,9aR,9bS)-6-(2-carboxyethyl)-7-(1-carboxyethylidene)-3a,5a,9b-trimethyl-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
InChI key:MLKGNOBMWJPGDM-HOZWSJIMSA-N

分子式:C30H46O6
分子量:502.692
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CCC([C@@H](CCC(O)=O)[C@]3(C)CC[C@]12C)=C(C)C(O)=O |w:31.34|
SMILES:C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CCC([C@@H](CCC(O)=O)[C@]3(C)CC[C@]12C)=C(C)C(O)=O |w:31.34|

(24E)-3,4-Seco-cucurbita-4,24-diene-3,26,29-trioic acid can inhibit the activity of protein tyrosine phosphatase 1B (PTP1B), with IC 50 values of 0.4uM.

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