3,5-Dimethoxy-1,6-dihydroxyxanthone
PubChem CID: 5281630
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| Compound Synonyms | 3,5-Dimethoxy-1,6-dihydroxyxanthone, 41357-83-9, 1,6-dihydroxy-3,5-dimethoxyxanthen-9-one, 1,6-Dihydroxy-3,5-dimethoxyxanthone, CHEBI:1406, 1,6-dihydroxy-3,5-dimethoxy-9H-xanthen-9-one, C10060, SCHEMBL4785647, DTXSID50961637, 3,5-Dimethoxy-1,6-dihydroxyxanthen-9-one, Q27105452 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 400.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,6-dihydroxy-3,5-dimethoxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C15H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VKZMZDFCRUHZNI-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.727 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.656 |
| Compound Name | 3,5-Dimethoxy-1,6-dihydroxyxanthone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 288.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.061214333333334 |
| Inchi | InChI=1S/C15H12O6/c1-19-7-5-10(17)12-11(6-7)21-14-8(13(12)18)3-4-9(16)15(14)20-2/h3-6,16-17H,1-2H3 |
| Smiles | COC1=CC(=C2C(=C1)OC3=C(C2=O)C=CC(=C3OC)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Anomala (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artocarpus Integra (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Eupatorium Sachalinense (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Garcinia Linii (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Leptochloa Digitata (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Pinus Heldreichii (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Piper Umbellatum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Senecio Brasiliensis (Plant) Rel Props:Source_db:cmaup_ingredients