Antibiotic JBIR 27
HIT106274433
sdf文件结构编辑类似物检索
HIT ID: HIT106274433
Cas No: 1172094-65-3
分子式: C15H22O3
分子量: 250.338
常用名: Antibiotic JBIR 27
氢键受体数 (HBA): 3
氢键供体数 (HBD): 2
LogP: 1.366
IUPAC: 6-hydroxy-4a-(hydroxymethyl)-5-methyl-3-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
IUPAC: 6-hydroxy-4a-(hydroxymethyl)-5-methyl-3-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
SMILES: CC1C(O)CCC2=CC(=O)C(CC12CO)C(C)=C |t:6|
SMILES: CC1C(O)CCC2=CC(=O)C(CC12CO)C(C)=C |t:6|
InChI key: VXPARNCTMSWSHF-UHFFFAOYSA-N
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