Molecule ID: 10053294

IUPAC Name: (2R)-2-[[(1S,9R,11S)-3,5-dihydroxy-9-[(E)-2-phenylethenyl]-6-[(E)-3-phenylprop-2-enoyl]-8,10-dioxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-yl]methyl]-2,3-dihydropyran-6-one

Description: The molecule is a member of the class of chalcones isolated from the trunk barks of Cryptocarya obovata and has been shown to exhibit cytotoxicity against the KB cell line. It has a role as a metabolite and an antineoplastic agent. It is a member of chalcones, a member of phenols, a delta-lactone and a cyclic ether.

SMILES: O=C1C=CC[C@H](C[C@@H]2C[C@H]3C[C@](/C=C/c4ccccc4)(Oc4c(C(=O)/C=C/c5ccccc5)c(O)cc(O)c43)O2)O1

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

InChI: InChI=1S/C34H30O7/c35-27(15-14-22-8-3-1-4-9-22)32-29(37)20-28(36)31-24-18-26(19-25-12-7-13-30(38)39-25)40-34(21-24,41-33(31)32)17-16-23-10-5-2-6-11-23/h1-11,13-17,20,24-26,36-37H,12,18-19,21H2/b15-14+,17-16+/t24-,25+,26-,34-/m0/s1

Molecular Properties:
- Polar Surface Area: 102.0 Ų
- LogP: 6.7