Nerbobscurine
HIT102574633
sdf文件结构编辑类似物检索
HIT ID: HIT102574633
Cas No: 38734-63-3
分子式: C22H26N2O4
分子量: 382.46
常用名: Nerbobscurine
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 2.055
IUPAC: methyl (1S,12S,13E)-13-ethylidene-18-(hydroxymethyl)-4-methoxy-8,15-diazapentacyclo[10.5.1.0^{1,9}.0^{2,7}.0^{10,15}]octadeca-2(7),3,5,8-tetraene-18-carboxylate
IUPAC: methyl (1S,12S,13E)-13-ethylidene-18-(hydroxymethyl)-4-methoxy-8,15-diazapentacyclo[10.5.1.0^{1,9}.0^{2,7}.0^{10,15}]octadeca-2(7),3,5,8-tetraene-18-carboxylate
SMILES: COC(=O)C1(CO)[C@H]2CC3N(CC[C@@]11C3=Nc3ccc(OC)cc13)C\C2=C\C |t:16,THB:11:10:4.14.13:8|
SMILES: COC(=O)C1(CO)[C@H]2CC3N(CC[C@@]11C3=Nc3ccc(OC)cc13)C\C2=C\C |t:16,THB:11:10:4.14.13:8|
InChI key: JBFBTBFJYNNYPW-ZXWRBSQSSA-N
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