Showing Metabocard for melleolide F (BASm0011480)
| Common Name | Melleolide f |
|---|---|
| Description | Melleolide F is found in mushrooms. Melleolide F is a metabolite of Armillaria mellea (honey mushroom |
| Structure | |
| Molecular Formula | C23H30O6 |
| Average Mass | 402.48070 |
| Monoisotopic Mass | 402.20424 |
| IUPAC Name | 2a-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate |
| Traditional Name | 2a-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1h,2h,4ah,5h,7h,7ah-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate |
| CAS Registry Number | 117258-74-9 |
| SMILES | Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3CC(C)(C)C[C@H]3C=C(CO)[C@]12O |
| InChI Identifier | InChI=1S/C23H30O6/c1-12-5-15(25)7-17(26)19(12)20(27)29-18-10-22(4)16-9-21(2,3)8-13(16)6-14(11-24)23(18,22)28/h5-7,13,16,18,24-26,28H,8-11H2,1-4H3 |
| InChI Key | PAOHIYZPMWDBLO-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:167712 |
| HMDB ID | HMDB0035027 |
| State | Not Available |
| Water Solubility | 4.05e-02 g/l |
| logP | 2.76 |
| logS | -4.00 |
| pKa (Strongest Acidic) | 8.70 |
| pKa (Strongest Basic) | -2.77 |
| Hydrogen Acceptor Count | 5 |
| Hydrogen Donor Count | 4 |
| Polar Surface Area | 107.22 Ų |
| Rotatable Bond Count | 4 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 109.03 m³·mol⁻¹ |
| Polarizability | 43.85 |