Molecule ID: 71306322

IUPAC Name: (Z)-4-[(1S,2S,17S,19R)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enal

Description: The molecule is an organic heterohexacyclic compound that is the major chromenoxanthone pigment present in Garcinia morella Desr.seed coat extract. It has a role as an antineoplastic agent. It is an organic heterohexacyclic compound, a polycyclic cage, a member of phenols, a cyclic ether, a cyclic ketone and an aldehyde.

SMILES: CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C=O)C5=O)C3=O)C=CC(C)(C)O2

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

InChI: InChI=1S/C33H36O7/c1-17(2)8-9-21-27-20(11-12-30(4,5)38-27)25(35)24-26(36)22-14-19-15-23-31(6,7)40-32(29(19)37,13-10-18(3)16-34)33(22,23)39-28(21)24/h8,10-12,14,16,19,23,35H,9,13,15H2,1-7H3/b18-10-/t19-,23+,32+,33-/m1/s1

Molecular Properties:
- Polar Surface Area: 99.1 Ų
- LogP: 5.3