Gramniphenol E
PubChem CID: 71578157
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Gramniphenol E, 2,4-dihydroxy-7-((2S)-2-hydroxy-3-methylbut-3-enoxy)-5-methoxyfluoren-9-one, 2,4-dihydroxy-7-[(2S)-2-hydroxy-3-methylbut-3-enoxy]-5-methoxyfluoren-9-one, CHEMBL2333779, 2,4-dihydroxy-7-[(2S)-2-hydroxy-3-methyl-but-3-enoxy]-5-methoxy-fluoren-9-one |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 520.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2,4-dihydroxy-7-[(2S)-2-hydroxy-3-methylbut-3-enoxy]-5-methoxyfluoren-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C19H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FBNGGGIWMGUFMK-OAHLLOKOSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.515 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.677 |
| Compound Name | Gramniphenol E |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 342.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8210514000000004 |
| Inchi | InChI=1S/C19H18O6/c1-9(2)15(22)8-25-11-6-13-18(16(7-11)24-3)17-12(19(13)23)4-10(20)5-14(17)21/h4-7,15,20-22H,1,8H2,2-3H3/t15-/m1/s1 |
| Smiles | CC(=C)[C@@H](COC1=CC2=C(C(=C1)OC)C3=C(C2=O)C=C(C=C3O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arundina Gramnifolia (Plant) Rel Props:Source_db:cmaup_ingredients