Dulxanthone E
PubChem CID: 11795135
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| Compound Synonyms | Dulxanthone E, 5,9,10,12-tetramethoxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one, 5,9,10,12-tetramethoxy-2,2-dimethyl-2,6-dihydro-1,11-dioxatetracen-6-one, 5,9,10,12-tetramethoxy-2,2-dimethylpyrano(3,2-b)xanthen-6-one, CHEMBL2437087, CHEBI:172634, 261896-23-5 |
|---|---|
| Topological Polar Surface Area | 72.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 29.0 |
| Description | Constituent of Garcinia dulcis (mundu). Dulxanthone E is found in fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 647.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,9,10,12-tetramethoxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C22H22O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DLIXREHRECIYQJ-UHFFFAOYSA-N |
| Fcsp3 | 0.3181818181818182 |
| Logs | -4.538 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.326 |
| Synonyms | Dulxanthone E |
| Compound Name | Dulxanthone E |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 398.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 398.137 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 398.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.124989579310346 |
| Inchi | InChI=1S/C22H22O7/c1-22(2)10-9-12-16(25-4)14-15(23)11-7-8-13(24-3)19(26-5)17(11)28-20(14)21(27-6)18(12)29-22/h7-10H,1-6H3 |
| Smiles | CC1(C=CC2=C(O1)C(=C3C(=C2OC)C(=O)C4=C(O3)C(=C(C=C4)OC)OC)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Dulcis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all