8-(2-Hydroxy-3-methyl-but-3-enyl)-5,7-dimethoxy-chromen-2-one
PubChem CID: 11778953
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| Compound Synonyms | Omphamurin, MEGxp0_001490, CHEMBL4161362, 8-(2-hydroxy-3-methyl-but-3-enyl)-5,7-dimethoxy-chromen-2-one, 2H-1-Benzopyran-2-one, 8-(2-hydroxy-3-methyl-3-butenyl)-5,7-dimethoxy- |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 430.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-(2-hydroxy-3-methylbut-3-enyl)-5,7-dimethoxychromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C16H18O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NUABNGXDPYIGQM-UHFFFAOYSA-N |
| Fcsp3 | 0.3125 |
| Logs | -2.767 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.126 |
| Compound Name | 8-(2-Hydroxy-3-methyl-but-3-enyl)-5,7-dimethoxy-chromen-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 290.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 290.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3175339523809524 |
| Inchi | InChI=1S/C16H18O5/c1-9(2)12(17)7-11-14(20-4)8-13(19-3)10-5-6-15(18)21-16(10)11/h5-6,8,12,17H,1,7H2,2-4H3 |
| Smiles | CC(=C)C(CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Exotica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients