HIT ID: HIT100223960
Cas No: 64280-18-8
分子式: C26H30O6
分子量: 438.52
常用名: Isosophoranone
氢键受体数 (HBA): 6
氢键供体数 (HBD): 3
LogP: 6.03
IUPAC: 5,7-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC: 5,7-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one
SMILES: [#6]-[#8]-c1c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])ccc1-[#6]-1-[#6]-[#8]-c2cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c2-[#6]-1=O
SMILES: [#6]-[#8]-c1c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])ccc1-[#6]-1-[#6]-[#8]-c2cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c2-[#6]-1=O
InChI key: ARNVYCOTFWJTBS-UHFFFAOYSA-N
