Rauvomitin
HIT214320127
sdf文件结构编辑类似物检索
HIT ID: HIT214320127
Cas No: 466-57-9
分子式: C30H34N2O5
分子量: 502.611
常用名: Rauvomitin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,9R,10S,12R,13E,16S,17S)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.0^{1,9}.0^{2,7}.0^{10,15}.0^{12,17}]nonadeca-2(7),3,5-trien-18-yl 3,4,5-trimethoxybenzoate
IUPAC: (1R,9R,10S,12R,13E,16S,17S)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.0^{1,9}.0^{2,7}.0^{10,15}.0^{12,17}]nonadeca-2(7),3,5-trien-18-yl 3,4,5-trimethoxybenzoate
SMILES: [H][C@]12C[C@]34C(OC(=O)c5cc(OC)c(OC)c(OC)c5)[C@@]1([H])[C@@]1([H])C[C@]([H])(N2C\C1=C\C)[C@]3([H])N(C)c1ccccc41 |TLB:4:3:27:20.22.24,4:20:25.24:29.28,32:25:1.20:29.28,2:1:25.24:29.28,29:22:27:3.32.2,28:27:3.32.2:20.22.24,34:32:27:20.22.24,41:3:27:20.22.24,THB:4:20:27:3.32.2|
SMILES: [H][C@]12C[C@]34C(OC(=O)c5cc(OC)c(OC)c(OC)c5)[C@@]1([H])[C@@]1([H])C[C@]([H])(N2C\C1=C\C)[C@]3([H])N(C)c1ccccc41 |TLB:4:3:27:20.22.24,4:20:25.24:29.28,32:25:1.20:29.28,2:1:25.24:29.28,29:22:27:3.32.2,28:27:3.32.2:20.22.24,34:32:27:20.22.24,41:3:27:20.22.24,THB:4:20:27:3.32.2|
InChI key: JHWXXJLDNKFDNH-LHDDVJRTSA-N
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TargetMol
SC
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