7-Hydroxyalloxanthyletin
PubChem CID: 11436481
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| Compound Synonyms | 7-hydroxyalloxanthyletin, CHEMBL480850 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 424.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2,2-dimethylpyrano[2,3-h]chromen-8-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Is Pains | False |
| Molecular Formula | C14H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BMRPYLPZRMZUOP-UHFFFAOYSA-N |
| Fcsp3 | 0.2142857142857142 |
| Rotatable Bond Count | 0.0 |
| Compound Name | 7-Hydroxyalloxanthyletin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.074 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 244.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 244.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.263136311111111 |
| Inchi | InChI=1S/C14H12O4/c1-14(2)6-5-8-10(15)7-11-9(13(8)18-14)3-4-12(16)17-11/h3-7,15H,1-2H3 |
| Smiles | CC1(C=CC2=C(O1)C3=C(C=C2O)OC(=O)C=C3)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pilocarpus Goudotianus (Plant) Rel Props:Source_db:cmaup_ingredients