Molecule ID: 21778345

IUPAC Name: (7S,8S,11R,12S,15S)-7,11-dibromo-15-(2-bromopropan-2-yl)-12,21-dihydroxy-4,8,12-trimethyl-16-oxatricyclo[16.3.1.03,8]docosa-1(21),3,18(22),19-tetraen-17-one

Description: The molecule is a diterpenoid that is a macrolide isolated from the Fijian red alga Callophycus serratus. It has been found to exhibit moderate cytotoxicity against several human tumour cell lines via specific apotopic cell death. It also displays anti-HIV, antibacterial, antifungal and antimalarial activity. It has a role as a metabolite, an antineoplastic agent, an antibacterial agent, an antifungal agent, an antimalarial and an anti-HIV agent. It is a member of phenols, an organobromine compound, a tertiary alcohol, a diterpenoid and a macrolide.

SMILES: CC1=C2Cc3cc(ccc3O)C(=O)O[C@H](C(C)(C)Br)CC[C@](C)(O)[C@H](Br)CC[C@]2(C)[C@@H](Br)CC1

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

InChI: InChI=1S/C27H37Br3O4/c1-16-6-9-21(28)26(4)12-10-22(29)27(5,33)13-11-23(25(2,3)30)34-24(32)17-7-8-20(31)18(14-17)15-19(16)26/h7-8,14,21-23,31,33H,6,9-13,15H2,1-5H3/t21-,22+,23-,26-,27-/m0/s1

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 6.8