Molecule ID: 23584317

IUPAC Name: 2-[[(1R,4aS,5R,6R,8aS)-6-bromo-5-(3-bromo-4-chloro-4-methylpentyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-4,6-dibromophenol

Description: The molecule is a dibromophenol that is 2,4-dibromophenol substituted at position 6 by a decahydronaphthalen-1-ylmethyl group which in turn is substituted by a bromo, 3-bromo-4-chloro-4-methylpentyl group, two methyl groups and a methylidene group at positions 6, 5, 5, 8a and 2 respectively. A diterpenoid isolated from the Fijian red alga Callophycus serratus, it exhibits antibacterial, antimalarial and anticancer activities. It has a role as a metabolite, an antibacterial agent, an antimalarial and an antineoplastic agent. It is a dibromophenol, an organochlorine compound and a carbobicyclic compound.

SMILES: C=C1CC[C@@H]2[C@@](C)(CCC(Br)C(C)(C)Cl)[C@H](Br)CC[C@@]2(C)[C@@H]1Cc1cc(Br)cc(Br)c1O

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

InChI: InChI=1S/C26H35Br4ClO/c1-15-6-7-20-25(4,18(15)13-16-12-17(27)14-19(28)23(16)32)10-9-22(30)26(20,5)11-8-21(29)24(2,3)31/h12,14,18,20-22,32H,1,6-11,13H2,2-5H3/t18-,20+,21?,22-,25+,26-/m1/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 9.9