(4R,8R)-2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
Formula:C17H10O7
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(4R,8R)-2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one is a drug-like molecule.
| MolName | (4R,8R)-2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one |
| MolecularFormula | C17H10O7 |
| Smiles | O[C@@]12c(c(O)c(c(Oc3c4c(O)ccc3)c3)C4=O)c3O[C@H]2OC=C1 |
| InChI | InChI=1S/C17H10O7/c18-7-2-1-3-8-11(7)14(19)12-9(23-8)6-10-13(15(12)20)17(21)4-5-22-16(17)24-10/h1-6,16,18,20-21H/t16-,17+/m0/s1 |
| InChIK | HNNJFXGWJORXCI-DLBZAZTESA-N |
| TotalMolweight | 326.259 |
| Molweight | 326.259 |
| MonoisotopicMass | 326.042655 |
| CLogP | 2.0112 |
| CLogS | -4.85 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 208.73 |
| Relative PSA | 0.39448 |
| PolarSurfaceArea | 105.45 |
| Druglikeness | 0.0385 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (4R,8R)-2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one | 2 - (4R,8R)-2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
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