Secondary metabolite: (+)-Lingzhiol
Summary
Molecular formula: C15H14O6
SMILES: O[C@H]1CC[C@@]23[C@]1(COC3=O)c1c(O)ccc(c1C(=O)C2)OInChI: InChI=1S/C15H14O6/c16-7-1-2-8(17)12-11(7)9(18)5-14-4-3-10(19)15(12,14)6-21-13(14)20/h1-2,10,16-17,19H,3-6H2/t10-,14+,15-/m0/s1InChIKey: LPZURWPKEZGETF-VQISRLSMSA-N
Chemical classification
Kingdom: Organic compounds
Super class: Organoheterocyclic compoundsClass: Naphthofurans
Synonymous chemical names:(+)-lingzhiol
Chemical structure download
Physicochemical properties
| Property name | Tool | Property value |
|---|
| Molecular weight (g/mol) | RDKit | 290.27 |
| Log P | RDKit | 0.62 |
| Topological polar surface area (Å2) | RDKit | 104.06 |
| Number of hydrogen bond acceptors | RDKit | 6 |
| Number of hydrogen bond donors | RDKit | 3 |
| Number of carbon atoms | RDKit | 15 |
| Number of heavy atoms | RDKit | 21 |
| Number of heteroatoms | RDKit | 6 |
| Number of nitrogen atoms | RDKit | 0 |
| Number of sulfur atoms | RDKit | 0 |
| Number of chiral carbon atoms | RDKit | 3 |
| Stereochemical complexity | RDKit | 0.2 |
| Number of sp hybridized carbon atoms | RDKit | 0 |
| Number of sp2 hybridized carbon atoms | RDKit | 8 |
| Number of sp3 hybridized carbon atoms | RDKit | 7 |
| Fraction of sp3 hybridized carbon atoms (Fsp3) | RDKit | 0.47 |
| Shape complexity | RDKit | 0.47 |
| Number of rotatable bonds | SwissADME | 0 |
| Number of aliphatic carbocycles | RDKit | 2 |
| Number of aliphatic heterocycles | RDKit | 1 |
| Number of aliphatic rings | RDKit | 3 |
| Number of aromatic carbocycles | RDKit | 1 |
| Number of aromatic heterocycles | RDKit | 0 |
| Number of aromatic rings | RDKit | 1 |
| Total number of rings | RDKit | 4 |
| Number of saturated carbocycles | RDKit | 1 |
| Number of saturated heterocycles | RDKit | 1 |
| Number of saturated rings | RDKit | 2 |
| Number of Smallest Set of Smallest Rings (SSSR) | RDKit | 4 |
