HIT ID: HIT105393595
Cas No: 80489-91-4
分子式: C18H26O4
分子量: 306.402
常用名: 2,4-Dihydroxy-6-pentyl-3-prenylbenzoic acid
常用名: 2,4-Dihydroxy-6-pentyl-3-prenylbenzoic acid
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 5.84
IUPAC: 2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-6-pentylbenzoic acid
IUPAC: 2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-6-pentylbenzoic acid
SMILES: [#6]-[#6]-[#6]-[#6]-[#6]-c1cc(-[#8]-[#6])c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c1-[#6](-[#8])=O
SMILES: [#6]-[#6]-[#6]-[#6]-[#6]-c1cc(-[#8]-[#6])c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c1-[#6](-[#8])=O
InChI key: UJSSSFNGQWZNEN-UHFFFAOYSA-N
