Molecule ID: 71627150

IUPAC Name: (12E,25E)-4,16,21,31,36,38-hexabromo-17,32-dihydroxy-12,25-bis(hydroxyimino)-2,19-dioxa-10,27-diazapentacyclo[28.2.2.220,23.13,7.114,18]octatriaconta-1(32),3,5,7(38),14(37),15,17,20(36),21,23(35),30,33-dodecaene-11,26-dione

Description: The molecule is a cyclic ether, a ketoxime, a lactam, a macrocycle, an organobromine compound and a polyphenol. It has a role as a metabolite and a calcium channel modulator.

SMILES: O/N=C1\Cc2cc(Br)c(c(Br)c2)Oc2cc(cc(Br)c2O)C/C(=N\O)C(O)=NCCc2ccc(Br)c(c2Br)Oc2ccc(c(Br)c2O)CCN=C1O

SELFIES: [O][/N][=C][\C][C][=C][C][Branch1][C][Br][=C][Branch1][Branch2][C][Branch1][C][Br][=C][Ring1][Branch2][O][C][=C][C][=Branch1][#Branch2][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][O][C][/C][=Branch1][Ring1][=N][\O][C][Branch1][C][O][=N][C][C][C][=C][C][=C][Branch1][C][Br][C][=Branch1][Branch1][=C][Ring1][#Branch1][Br][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][Br][=C][Ring1][#Branch1][O][C][C][N][=C][Ring2][Ring2][P][O]

InChI: InChI=1S/C34H26Br6N4O8/c35-19-3-1-18-6-8-42-34(48)24(44-50)13-16-9-20(36)29(45)26(14-16)52-31-21(37)10-15(11-22(31)38)12-23(43-49)33(47)41-7-5-17-2-4-25(30(46)27(17)39)51-32(19)28(18)40/h1-4,9-11,14,45-46,49-50H,5-8,12-13H2,(H,41,47)(H,42,48)/b43-23+,44-24+

Molecular Properties:
- Polar Surface Area: 182.0 Ų
- LogP: 10.2