1,2,3,7-Tetramethoxyxanthone
PubChem CID: 14528828
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| Compound Synonyms | 1,2,3,7-Tetramethoxyxanthone, 22804-52-0, 1,2,3,7-tetramethoxyxanthen-9-one, 1,2,3,7-Tetramethoxy-9H-xanthen-9-one, 1?2?3?7-tetramethoxyxanthone, CHEMBL3704821, SCHEMBL14252988, BDBM174837, HY-N4293, AKOS037515055, DA-48987, PD125274, CS-0032656, US9114126, C-017 |
|---|---|
| Topological Polar Surface Area | 63.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 427.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P54710 |
| Iupac Name | 1,2,3,7-tetramethoxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C17H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FYLQNKRJVPRLKX-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.834 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.696 |
| Compound Name | 1,2,3,7-Tetramethoxyxanthone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 316.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.123250582608696 |
| Inchi | InChI=1S/C17H16O6/c1-19-9-5-6-11-10(7-9)15(18)14-12(23-11)8-13(20-2)16(21-3)17(14)22-4/h5-8H,1-4H3 |
| Smiles | COC1=CC2=C(C=C1)OC3=CC(=C(C(=C3C2=O)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all