Molecule ID: 53355130

IUPAC Name: (4S,6E,8R,9S,10S,12E)-8,9,10,18-tetrahydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-2-one

Description: The molecule is a macrolide that is a C-7 epimer of zeaenol. Isolated from Fungi, it exhibits inhibitory activity against NF-kappaB. It has a role as a metabolite and a NF-kappaB inhibitor. It is an aromatic ether, a macrolide, a member of phenols and a secondary alcohol.

SMILES: COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)[C@H](O)/C=C/C[C@H](C)OC2=O

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

InChI: InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,14-15,18,20-23H,5,8H2,1-2H3/b6-4+,7-3+/t11-,14+,15-,18+/m0/s1

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: 2.2