clauslactone D
PubChem CID: 10339358
Connections displayed (default: 10).
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| Compound Synonyms | clauslactone D, CHEMBL488407 |
|---|---|
| Topological Polar Surface Area | 112.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 685.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2-hydroxy-1-[4-(hydroxymethyl)-5-oxo-2H-furan-2-yl]propan-2-yl]-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C19H18O8 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GDPHCYVELMTBIG-UHFFFAOYSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -3.38 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.362 |
| Compound Name | clauslactone D |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 374.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 374.1 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 374.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.937913074074075 |
| Inchi | InChI=1S/C19H18O8/c1-19(23,7-12-6-11(8-20)18(22)25-12)14-9-24-13-4-2-10-3-5-15(21)27-16(10)17(13)26-14/h2-6,12,14,20,23H,7-9H2,1H3 |
| Smiles | CC(CC1C=C(C(=O)O1)CO)(C2COC3=C(O2)C4=C(C=C3)C=CC(=O)O4)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Excavata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all