Oblongixanthone A
PubChem CID: 25209069
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| Compound Synonyms | Oblongixanthone A, 5,8,10-trihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one, 1107626-30-1, 5,8,10-trihydroxy-3,3-dimethylpyrano(2,3-c)xanthen-7-one, OblongixanthoneA |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 558.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,8,10-trihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C18H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AUJJJIOJWMZKDP-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.897 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.955 |
| Compound Name | Oblongixanthone A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 326.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.764351466666666 |
| Inchi | InChI=1S/C18H14O6/c1-18(2)4-3-9-16-10(7-12(21)17(9)24-18)15(22)14-11(20)5-8(19)6-13(14)23-16/h3-7,19-21H,1-2H3 |
| Smiles | CC1(C=CC2=C3C(=CC(=C2O1)O)C(=O)C4=C(C=C(C=C4O3)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cistanche Salsa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Garcinia Oblongifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Neomeris Annulata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Piper Wightii (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Trifolium Resupinatum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Zanthoxylum Decaryi (Plant) Rel Props:Source_db:cmaup_ingredients