Molecule ID: 122384364

IUPAC Name: (1S,7R,8R,9S,12S,16R)-7,8-dihydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadec-2-ene-4,11-dione

Description: The molecule is a tetracyclic diterpenoid that is decahydro-4H,9H-[2]benzofuro[7,1-fg]isochromene-4,9-dionewhich is substituted by methyl groups at the 3a and 10b positions and by hydroxy groups at the 6 and 6a positions. A tetranorlabdane diterpenoid isolated from isolated from the solid fermentation products of Botryosphaeria sp. P483 that exhibits antifungal activity. It has a role as an antifungal agent and a fungal metabolite. It is an organic heterotetracyclic compound, a tetracyclic diterpenoid and a delta-lactone.

SMILES: C[C@@]12CCC[C@]3(C)C4=CC(=O)OC[C@@]4(O)[C@H](O)[C@@H](OC1=O)[C@@H]23

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

InChI: InChI=1S/C16H20O6/c1-14-4-3-5-15(2)11(14)10(22-13(15)19)12(18)16(20)7-21-9(17)6-8(14)16/h6,10-12,18,20H,3-5,7H2,1-2H3/t10-,11+,12+,14+,15-,16-/m0/s1

Molecular Properties:
- Polar Surface Area: 93.1 Ų
- LogP: 0.2