Chromone, 5-hydroxy-7-methoxy-2-methyl-6-(3-methyl-2-butenyl)-
PubChem CID: 615800
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| Compound Synonyms | 13544-40-6, Peucenin 7-O-methyl ether, 5-hydroxy-7-methoxy-2-methyl-6-(3-methylbut-2-enyl)chromen-4-one, Chromone, 5-hydroxy-7-methoxy-2-methyl-6-(3-methyl-2-butenyl)-, 2-Methyl-5-hydroxy-6-(3-methyl-2-butenyl)-7-methoxy-4H-1-benzopyran-4-one, Peucenin-7-Methylether, Peucin-7-Methyl Ether, CHEMBL2164956, ACFZPAPMLYYOCT-UHFFFAOYSA-N, HY-N10994, 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2-methyl-6-(3-methyl-2-butenyl)-, DA-60149, 5-Hydroxy-7-methoxy-2-methyl-6-(3-methyl-2-butenyl)-4H-chromen-4-one # |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 434.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 5-hydroxy-7-methoxy-2-methyl-6-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C16H18O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ACFZPAPMLYYOCT-UHFFFAOYSA-N |
| Fcsp3 | 0.3125 |
| Logs | -3.456 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.667 |
| Compound Name | Chromone, 5-hydroxy-7-methoxy-2-methyl-6-(3-methyl-2-butenyl)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 274.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 274.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7413591999999993 |
| Inchi | InChI=1S/C16H18O4/c1-9(2)5-6-11-13(19-4)8-14-15(16(11)18)12(17)7-10(3)20-14/h5,7-8,18H,6H2,1-4H3 |
| Smiles | CC1=CC(=O)C2=C(C(=C(C=C2O1)OC)CC=C(C)C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aframomum Melegueta (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Angelica Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Harrisonia Perforata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Rubus Niveus (Plant) Rel Props:Source_db:npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Schisandra Sphenanthera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Senna Siamea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all