Molecule ID: 127035633

IUPAC Name: (1S,4R,7R,8S,12R)-7-[(2S)-1,2-dihydroxypropan-2-yl]-12-hydroxy-4-methyl-3,14-dioxatetracyclo[10.2.1.02,10.04,8]pentadec-2(10)-en-11-one

Description: The molecule is a meroterpenoid found in Guignardia and Fusarium species and shown to exhibit inhibitory activity against Candida albicans growth. It has a role as an antifungal agent and a fungal metabolite. It is a meroterpenoid, a tertiary alcohol, a primary alcohol, an organic hydroxy compound, an organic heterotetracyclic compound, a triol and a tertiary alpha-hydroxy ketone.

SMILES: C[C@@]12CC[C@@H]([C@](C)(O)CO)[C@@H]1CC1=C(O2)[C@@H]2C[C@@](O)(CO2)C1=O

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

InChI: InChI=1S/C17H24O6/c1-15(20,7-18)10-3-4-16(2)11(10)5-9-13(23-16)12-6-17(21,8-22-12)14(9)19/h10-12,18,20-21H,3-8H2,1-2H3/t10-,11+,12+,15-,16-,17-/m1/s1

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: -0.8