Diaportinol
PubChem CID: 10849348
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Diaportinol, 3-[(2R)-2,3-dihydroxypropyl]-8-hydroxy-6-methoxyisochromen-1-one, 3-((2R)-2,3-dihydroxypropyl)-8-hydroxy-6-methoxyisochromen-1-one, CHEMBL4161822, CHEBI:215878, 244182-65-8 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 366.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 3-[(2R)-2,3-dihydroxypropyl]-8-hydroxy-6-methoxyisochromen-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C13H14O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BINZCYYNWOVDRD-MRVPVSSYSA-N |
| Fcsp3 | 0.3076923076923077 |
| Logs | -1.777 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.114 |
| Compound Name | Diaportinol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 266.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 266.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.546917484210526 |
| Inchi | InChI=1S/C13H14O6/c1-18-9-2-7-3-10(4-8(15)6-14)19-13(17)12(7)11(16)5-9/h2-3,5,8,14-16H,4,6H2,1H3/t8-/m1/s1 |
| Smiles | COC1=CC(=C2C(=C1)C=C(OC2=O)C[C@H](CO)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Kandelia Candel (Plant) Rel Props:Source_db:cmaup_ingredients