Molecule ID: 24857881

IUPAC Name: (1S,10S,12R,13R,14R,17R)-8-chloro-12-hydroxy-5-[(E,3R,4R)-4-hydroxy-3-methylpent-1-enyl]-10,13,14-trimethyl-4,11,15-trioxatetracyclo[8.7.0.02,7.012,17]heptadeca-2,5,7-triene-9,16-dione

Description: The molecule is an azaphilone isolated from Chaetomium globosum and has been shown to exhibit inhibitory activity against the brine shrimp (Artemia salina) and Mucor miehei. It has a role as a Chaetomium metabolite. It is a delta-lactone, an azaphilone, an enone, an organic heterotetracyclic compound, an organochlorine compound, a tertiary alcohol and a secondary alcohol.

SMILES: C[C@H](/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@]4(O)[C@H](C)[C@@H](C)OC(=O)[C@@H]4[C@H]3C2=CO1)[C@@H](C)O

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

InChI: InChI=1S/C23H27ClO7/c1-10(12(3)25)6-7-14-8-15-16(9-29-14)17-18-21(27)30-13(4)11(2)23(18,28)31-22(17,5)20(26)19(15)24/h6-13,17-18,25,28H,1-5H3/b7-6+/t10-,11-,12-,13-,17-,18+,22+,23-/m1/s1

Molecular Properties:
- Polar Surface Area: 102.0 Ų
- LogP: 2.0