Isocurcumenol
HIT212664559
sdf文件结构编辑类似物检索
HIT ID: HIT212664559
Cas No: 24063-71-6
分子式: C15H22O2
分子量: 234.339
常用名: Isocurcumenol
氢键受体数 (HBA): 2
氢键供体数 (HBD): 1
LogP: 2.8158307
IUPAC: (1S,2S,5S,8R)-2-methyl-6-methylidene-9-(propan-2-ylidene)-11-oxatricyclo[6.2.1.0^{1,5}]undecan-8-ol
IUPAC: (1S,2S,5S,8R)-2-methyl-6-methylidene-9-(propan-2-ylidene)-11-oxatricyclo[6.2.1.0^{1,5}]undecan-8-ol
SMILES: [#6]-[#6@H]1-[#6]-[#6]-[#6@H]2-[#6](=[#6])-[#6][C@@]3([#8])[#8][C@@]12[#6]\[#6]3=[#6](/[#6])-[#6]
SMILES: [#6]-[#6@H]1-[#6]-[#6]-[#6@H]2-[#6](=[#6])-[#6][C@@]3([#8])[#8][C@@]12[#6]\[#6]3=[#6](/[#6])-[#6]
InChI key: DEBDFZGNZTYPMF-NZBPQXDJSA-N
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