4-Hydroxy-2,3-dimethoxyxanthone
PubChem CID: 378690
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| Compound Synonyms | 4-hydroxy-2,3-dimethoxyxanthone, 10527-38-5, 4-hydroxy-2,3-dimethoxyxanthen-9-one, NSC661742, 9H-Xanthen-9-one, 4-hydroxy-2,3-dimethoxy-, 4-Hydroxy-2,3-dimethoxy-9H-xanthen-9-one, CHEMBL3814641, DTXSID00327502, KAA52738, AKOS030562761, NSC-661742, 4-hydroxy-2,3-dimethoxy-xanthen-9-one, F92794 |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 371.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-2,3-dimethoxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C15H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HWDHDJJDOUMUHF-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.62 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.457 |
| Compound Name | 4-Hydroxy-2,3-dimethoxyxanthone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 272.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8606872 |
| Inchi | InChI=1S/C15H12O5/c1-18-11-7-9-12(16)8-5-3-4-6-10(8)20-14(9)13(17)15(11)19-2/h3-7,17H,1-2H3 |
| Smiles | COC1=C(C(=C2C(=C1)C(=O)C3=CC=CC=C3O2)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Muricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Boehmeria Pannosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cirsium Carolinianum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Dipentodon Sinicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Hypericum Oblongifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Pericome Caudata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Piper Lanceifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all