CHALCOMORACIN

[2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone

Also Known As: CHALCOMORACIN|[2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone|(+)-[2-[2,6-Dihydroxy-4-(6-hydroxybenzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl][2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]methanone|-[2-[2,6-Dihydroxy-4- phenyl]-6- -4-methyl-3-cyclohexen-1-yl][2,4-dihydroxy-3- phenyl]methanone|[2-[2,6-dihydroxy-4-(6-hydroxy-1-benzouran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone|2-(6-{[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]carbonyl}-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl)-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol|2-{6-[2,4-DIHYDROXY-3-(3-METHYLBUT-2-EN-1-YL)BENZOYL]-5-(2,4-DIHYDROXYPHENYL)-3-METHYLCYCLOHEX-2-EN-1-YL}-5-(6-HYDROXY-1-BENZOFURAN-2-YL)BENZENE-1,3-DIOL

Molecular Formula	C39H36O9
Molecular Weight	648.23596 g/mol
LogP	7.9
Topological Polar Surface Area	172.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	648.23596
Monoisotopic Mass	648.23596
Heavy Atoms	48
Complexity	1170.0

Chemical Identifiers

CAS Number	76472-89-4
SMILES	CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C(=C(C=C3)O)CC=C(C)C)O)C4=C(C=C(C=C4O)C5=CC6=C(O5)C=C(C=C6)O)O
InChIKey	SEHVRKPXIDOTRX-UHFFFAOYSA-N