Penicilisorin
PubChem CID: 46871990
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| Compound Synonyms | Penicilisorin, methyl 8-hydroxy-6-methoxy-1-oxoisochromene-3-carboxylate, CHEBI:224043, Methyl 8-hydroxy-6-methoxy-1-oxo-1H-isochromene-3-carboxylic acid |
|---|---|
| Topological Polar Surface Area | 82.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 388.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 8-hydroxy-6-methoxy-1-oxoisochromene-3-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C12H10O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CSYJJADWZJXBQU-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.138 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.705 |
| Compound Name | Penicilisorin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 250.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 250.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0201883111111107 |
| Inchi | InChI=1S/C12H10O6/c1-16-7-3-6-4-9(11(14)17-2)18-12(15)10(6)8(13)5-7/h3-5,13H,1-2H3 |
| Smiles | COC1=CC(=C2C(=C1)C=C(OC2=O)C(=O)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rabdosia Longituba (Plant) Rel Props:Source_db:cmaup_ingredients