8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,6,7-trimethoxychromen-2-one
PubChem CID: 101914290
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| Compound Synonyms | CHEMBL3426674 |
|---|---|
| Topological Polar Surface Area | 74.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 483.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,6,7-trimethoxychromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C17H20O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WCKNIJCEFGBCCT-CMDGGOBGSA-N |
| Fcsp3 | 0.3529411764705882 |
| Logs | -3.119 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.123 |
| Compound Name | 8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,6,7-trimethoxychromen-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 320.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 320.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 320.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.1202533304347826 |
| Inchi | InChI=1S/C17H20O6/c1-17(2,19)9-8-11-13-10(6-7-12(18)23-13)14(20-3)16(22-5)15(11)21-4/h6-9,19H,1-5H3/b9-8+ |
| Smiles | CC(C)(/C=C/C1=C(C(=C(C2=C1OC(=O)C=C2)OC)OC)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Alata (Plant) Rel Props:Source_db:cmaup_ingredients