1,3,8-Trihydroxy-4,6-dimethoxyxanthen-9-one
PubChem CID: 71546261
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| Compound Synonyms | CHEMBL3236501 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | PAVWLYTVSSXEMJ-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Compound Name | 1,3,8-Trihydroxy-4,6-dimethoxyxanthen-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 304.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.058 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 428.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 304.25 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,8-trihydroxy-4,6-dimethoxyxanthen-9-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -3.9174838909090908 |
| Inchi | InChI=1S/C15H12O7/c1-20-6-3-7(16)11-10(4-6)22-15-12(13(11)19)8(17)5-9(18)14(15)21-2/h3-5,16-18H,1-2H3 |
| Smiles | COC1=CC(=C2C(=C1)OC3=C(C2=O)C(=CC(=C3OC)O)O)O |
| Xlogp | 2.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H12O7 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Oblongifolia (Plant) Rel Props:Source_db:cmaup_ingredients