Phomo-2,3-dihydrochromone
PubChem CID: 139585573
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| Compound Synonyms | Phomo-2,3-dihydrochromone, CHEBI:205965, 5-hydroxy-7-methoxy-3-(4-methyl-5-oxouran-2-ylidene)chromen-4-one, 5-hydroxy-7-methoxy-3-(4-methyl-5-oxofuran-2-ylidene)chromen-4-one |
|---|---|
| Topological Polar Surface Area | 82.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 546.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-7-methoxy-3-(4-methyl-5-oxofuran-2-ylidene)chromen-4-one |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Is Pains | False |
| Molecular Formula | C15H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AVUKMQFSADCLAL-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Rotatable Bond Count | 1.0 |
| Compound Name | Phomo-2,3-dihydrochromone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.063 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 288.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 288.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.051509571428572 |
| Inchi | InChI=1S/C15H12O6/c1-7-3-11(21-15(7)18)9-6-20-12-5-8(19-2)4-10(16)13(12)14(9)17/h3-5,16H,6H2,1-2H3 |
| Smiles | CC1=CC(=C2COC3=CC(=CC(=C3C2=O)O)OC)OC1=O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alstonia Scholaris (Plant) Rel Props:Source_db:cmaup_ingredients