Molecule ID: 53355986

IUPAC Name: (11S)-9-chloro-14,15-dihydroxy-2-(3-hydroxybutan-2-yl)-11-methyl-6-[(E,3S)-3-methylpent-1-enyl]-3,5,12-trioxatetracyclo[6.5.2.04,15.011,14]pentadeca-1,6,8-triene-10,13-dione

Description: The molecule is an azaphilone found in Chaetomium globosum. It has a role as a Chaetomium metabolite. It is an azaphilone, a gamma-lactone, an enone, an organochlorine compound, an organic heterotetracyclic compound and a secondary alcohol.

SMILES: CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C4=C(C(C)C(C)O)OC(O1)C2(O)C43O

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

InChI: InChI=1S/C23H27ClO8/c1-6-10(2)7-8-13-9-14-16(24)18(26)21(5)23(29)15(19(27)32-21)17(11(3)12(4)25)31-20(30-13)22(14,23)28/h7-12,20,25,28-29H,6H2,1-5H3/b8-7+/t10-,11?,12?,20?,21+,22?,23?/m0/s1

Molecular Properties:
- Polar Surface Area: 123.0 Ų
- LogP: 1.7