Capnoidine
HIT212710331
sdf文件结构编辑类似物检索
HIT ID: HIT212710331
Cas No: 485-50-7
分子式: C20H17NO6
分子量: 367.357
常用名: Capnoidine
氢键受体数 (HBA): 6
氢键供体数 (HBD): 0
LogP: 2.6769574
IUPAC: (10R)-10-[(5R)-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3,5,11-trioxatricyclo[7.3.0.0^{2,6}]dodeca-1,6,8-trien-12-one
IUPAC: (10R)-10-[(5R)-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3,5,11-trioxatricyclo[7.3.0.0^{2,6}]dodeca-1,6,8-trien-12-one
SMILES: CN1CCc2cc3OCOc3cc2[C@@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21
SMILES: CN1CCc2cc3OCOc3cc2[C@@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21
InChI key: IYGYMKDQCDOMRE-QZTJIDSGSA-N
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