Molecule ID: 70678700

IUPAC Name: (6Z,7E,9S,10R,11S)-6-ethylidene-14-hydroxy-11-[(2R,5R,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-4,8,10-trimethyl-17-oxa-2-azatricyclo[7.6.2.012,16]heptadeca-1(15),7,12(16),13-tetraene-3,5-dione

Description: The molecule is an eleven-membered macrocyclic lactam that consists of (2S,3E,5Z,14S,15R)-5-ethylidene-11,14-dihydroxy-3,7,15-trimethyl-2,5-dihydro-2,13-ethano-1,9-benzoxazacycloundecine-6,8-dione in which the 14-hydroxy group is substituted by a (2R,5R,6R)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl moiety. It is a radical scavenger isolated from Streptomyces. It has a role as a metabolite and a radical scavenger. It is a member of phenols, a glycoside, a lactam, a macrocycle and a monosaccharide derivative.

SMILES: C/C=C1/C=C(\C)[C@H]2Oc3c(cc(O)cc3[C@@H](O[C@H]3CC[C@@H](O)[C@@H](C)O3)[C@@H]2C)N=C(O)C(C)C1=O

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

InChI: InChI=1S/C26H33NO7/c1-6-16-9-12(2)23-14(4)24(33-21-8-7-20(29)15(5)32-21)18-10-17(28)11-19(25(18)34-23)27-26(31)13(3)22(16)30/h6,9-11,13-15,20-21,23-24,28-29H,7-8H2,1-5H3,(H,27,31)/b12-9+,16-6-/t13?,14-,15-,20-,21+,23-,24+/m1/s1

Molecular Properties:
- Polar Surface Area: 114.0 Ų
- LogP: 2.9