1-Hydroxy-3,6,7-trimethoxyxanthen-9-one
PubChem CID: 5318373
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| Compound Synonyms | 1-Hydroxy-3,6,7-trimethoxy xanthone, 1-hydroxy-3,6,7-trimethoxyxanthen-9-one, SCHEMBL4094161, CHEBI:228334, DTXSID001261885, CCG-231186, 2054-36-6, 3,6,7-Trimethoxy-1-hydroxyxanthen-9-one, 1-hydroxy-3,6,7-trimethoxy-xanthen-9-one, 1-Hydroxy-3,6,7-trimethoxy-9H-xanthen-9-one |
|---|---|
| Topological Polar Surface Area | 74.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 413.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-hydroxy-3,6,7-trimethoxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C16H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YBXGACGRJWDKHC-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.693 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.787 |
| Compound Name | 1-Hydroxy-3,6,7-trimethoxyxanthen-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 302.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.267657490909091 |
| Inchi | InChI=1S/C16H14O6/c1-19-8-4-10(17)15-14(5-8)22-11-7-13(21-3)12(20-2)6-9(11)16(15)18/h4-7,17H,1-3H3 |
| Smiles | COC1=CC(=C2C(=C1)OC3=CC(=C(C=C3C2=O)OC)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients