1,2,3-Trimethoxyxanthen-9-one
PubChem CID: 493303
Connections displayed (default: 10).
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| Compound Synonyms | 1,2,3-trimethoxyxanthen-9-one, 1,2,3-Trimethoxyxanthone, 27460-10-2, trimethoxy xanthone, 1,2,3-Trimethoxy-9H-xanthen-9-one, 9H-Xanthen-9-one, 1,2,3-trimethoxy-, 6,7,8-Trimethoxanthone, SCHEMBL8485668, DTXSID70333236, CQDQINXEWIRADS-UHFFFAOYSA-N, HY-N12794, Xanthen-9-one, 1,2,3-trimethoxy-, CS-1050916, G89216 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 54.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | CQDQINXEWIRADS-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Rotatable Bond Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Compound Name | 1,2,3-Trimethoxyxanthen-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.084 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 385.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 286.28 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,3-trimethoxyxanthen-9-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -4.064887933333334 |
| Inchi | InChI=1S/C16H14O5/c1-18-12-8-11-13(16(20-3)15(12)19-2)14(17)9-6-4-5-7-10(9)21-11/h4-8H,1-3H3 |
| Smiles | COC1=C(C(=C2C(=C1)OC3=CC=CC=C3C2=O)OC)OC |
| Xlogp | 2.9 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C16H14O5 |
- 1. Outgoing r'ship
FOUND_INto/from Glaucium Flavum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Sesbania Bispinosa (Plant) Rel Props:Source_db:cmaup_ingredients