Molecule ID: 70697774

IUPAC Name: (1S,3R,4R,6E,7R,8S,10R,11R,13E,14R)-3,10-dihydroxy-6,13-bis[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,4,8,11-tetramethyl-2,9-dioxapentacyclo[8.4.0.03,8.04,14.07,11]tetradecane-5,12-dione

Description: The molecule is an organic heterotetracyclic compound found in Trichoderma longibrachiatum and Penicillium chrysogenum. It has a role as an antineoplastic agent and a Penicillium metabolite. It is an organic heterotetracyclic compound, a cyclic ether and an enone.

SMILES: C/C=C/C=C/C(O)=C1\C(=O)[C@@]2(C)[C@H]3/C(=C(O)/C=C/C=C/C)C(=O)[C@@]4(C)[C@@H]1[C@]1(C)O[C@@]4(O)[C@@]3(C)O[C@@]12O

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

InChI: InChI=1S/C28H32O8/c1-7-9-11-13-15(29)17-19-23(3)22(32)18(16(30)14-12-10-8-2)20-24(4,21(17)31)28(34)25(19,5)35-27(23,33)26(20,6)36-28/h7-14,19-20,29-30,33-34H,1-6H3/b9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t19-,20-,23-,24-,25+,26+,27-,28-/m1/s1

Molecular Properties:
- Polar Surface Area: 134.0 Ų
- LogP: 2.5