Molecule ID: 10198594

IUPAC Name: 3-hydroxy-5,7-bis[(E)-prop-1-enyl]-3,5,7,7a-tetrahydrofuro[3,4-b]pyran-2-one

Description: The molecule is a delta-lactone that is 3,5,7,7a-tetrahydro-2H-furo[3,4-b]pyran-2-one substituted by a hydroxy group at position 3 and propenyl groups at positions 5 and 7. Isolated from the fermantation broth of Myceliophthora lutea TF-0409, it exhibits broad spectrum activity against cultured tumor cell lines, including adriamycin-resistant HL-60 cells. It has a role as a metabolite and an antineoplastic agent. It is a delta-lactone, an organic heterobicyclic compound and a secondary alcohol.

SMILES: C/C=C/C1OC(/C=C/C)C2OC(=O)C(O)C=C12

SELFIES: [C][/C][=C][/C][O][C][Branch1][Ring2][/C][=C][/C][C][O][C][=Branch1][C][=O][C][Branch1][C][O][C][=C][Ring1][=C][Ring1][Branch2]

InChI: InChI=1S/C13H16O4/c1-3-5-10-8-7-9(14)13(15)17-12(8)11(16-10)6-4-2/h3-7,9-12,14H,1-2H3/b5-3+,6-4+

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 0.9