Scoparinol | CAS 130838-00-5 | AnyMole

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HIT214316172

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HIT214316172

HIT ID:HIT214316172
Cas No:130838-00-5
常用名:Scoparinol
IUPAC:(1R,4S,4aR,8R,8aR)-4-[(3E)-5-hydroxy-3-methylpent-3-en-1-yl]-8-(hydroxymethyl)-4a,8-dimethyl-3-methylidene-decahydronaphthalen-1-yl benzoate
IUPAC:(1R,4S,4aR,8R,8aR)-4-[(3E)-5-hydroxy-3-methylpent-3-en-1-yl]-8-(hydroxymethyl)-4a,8-dimethyl-3-methylidene-decahydronaphthalen-1-yl benzoate
InChI key:WGSYIFPPMZUQAN-IZCLTQQPSA-N

分子式:C27H38O4
分子量:426.597
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12[C@@H](CC(=C)[C@H](CC\C(C)=C\CO)[C@@]1(C)CCC[C@@]2(C)CO)OC(=O)c1ccccc1
SMILES:[H][C@@]12[C@@H](CC(=C)[C@H](CC\C(C)=C\CO)[C@@]1(C)CCC[C@@]2(C)CO)OC(=O)c1ccccc1

Scoparinol has sedative, anti-inflammatory, analgesic, and diuretic actions.

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TargetMolSC
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¥ 3,560.00
1

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