Molecule ID: 126647

IUPAC Name: [(2R,3R,4R,5R)-4-(dimethylamino)-6-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromen-4-yl)-5-hydroxy-2-methyloxan-3-yl] acetate

Description: The molecule is a C-glycosylated naphthoisochromene derivative obtained from Streptomyces ravidus; exhibits antibiotic and anticancer properties. It has a role as an antimicrobial agent, an antineoplastic agent and a bacterial metabolite. It is a naphthoisochromene, an aromatic ether, a member of phenols, an olefinic compound, a C-glycosyl compound, a tertiary amine and an acetate ester.

SMILES: C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc(C3O[C@H](C)[C@H](OC(C)=O)[C@H](N(C)C)[C@H]3O)c21

SELFIES: [C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][=C][Ring1][Branch2][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][C][O][C][=C][C][Branch2][Ring1][N][C][O][C@H1][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][=C][O][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][N]

InChI: InChI=1S/C31H33NO9/c1-8-16-11-19-23(21(12-16)37-6)18-13-22(38-7)25-20(34)10-9-17(24(25)29(18)41-31(19)36)30-27(35)26(32(4)5)28(14(2)39-30)40-15(3)33/h8-14,26-28,30,34-35H,1H2,2-7H3/t14-,26-,27-,28+,30?/m1/s1

Molecular Properties:
- Polar Surface Area: 124.0 Ų
- LogP: 4.0