Molecule ID: 24755349

IUPAC Name: (1R,4aS,6aR,7S,12aS,12bS)-4a,8,10-trihydroxy-6a-methyl-4-methylidene-7-(2-methylpropyl)-1-prop-1-en-2-yl-1,2,3,5,6,7,12a,12b-octahydronaphtho[1,2-b]chromene-9,11-dicarbaldehyde

Description: The molecule is an organic heterotetracyclic compound whose skeleton is composed of 3,5-diformyl-isopentyl substituted phloroglucinol fused with a cadinane ring system. Isolated from Eucalyptus globulus, it exhibits antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a member of benzaldehydes, a cyclic ether, an organic heterotetracyclic compound, a member of resorcinols and a tertiary alcohol.

SMILES: C=C(C)[C@@H]1CCC(=C)[C@]2(O)CC[C@]3(C)[C@H](CC(C)C)c4c(O)c(C=O)c(O)c(C=O)c4O[C@H]3[C@H]12

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

InChI: InChI=1S/C28H36O6/c1-14(2)11-20-21-24(32)18(12-29)23(31)19(13-30)25(21)34-26-22-17(15(3)4)8-7-16(5)28(22,33)10-9-27(20,26)6/h12-14,17,20,22,26,31-33H,3,5,7-11H2,1-2,4,6H3/t17-,20+,22-,26-,27+,28+/m0/s1

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 5.9