Molecule ID: 145944413

IUPAC Name: [(1R)-1-[(1S,2S)-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-1-yl]ethyl] acetate

Description: The molecule is a member of the class of anthracenes that is 3,8,9-trihydroxy-3-methyl-3,4-dihydroanthracen-1(2H)-one which is substituted at position 4 by a 1-acetoxyetyl group and in which the acetoxy-bearing carbon has R configuration while the remaining two chiral centres have S configuration. A putative precursor in the biosynthesis of julichrome Q6-6. The corresponding 8-glucuronide has been isolated from a soil-derived strain of Streptomyces sp. It has a role as a fungal metabolite. It is a member of anthracenes, a carbotricyclic compound, an acetate ester, a tertiary alcohol, a member of phenols, a cyclic ketone and a polyketide.

SMILES: CC(=O)O[C@H](C)[C@@H]1c2cc3cccc(O)c3c(O)c2C(=O)C[C@]1(C)O

SELFIES: [C][C][=Branch1][C][=O][O][C@H1][Branch1][C][C][C@@H1][C][=C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][Branch1][C][O][=C][Ring1][N][C][=Branch1][C][=O][C][C@][Ring1][P][Branch1][C][C][O]

InChI: InChI=1S/C19H20O6/c1-9(25-10(2)20)17-12-7-11-5-4-6-13(21)15(11)18(23)16(12)14(22)8-19(17,3)24/h4-7,9,17,21,23-24H,8H2,1-3H3/t9-,17-,19+/m1/s1

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 2.4