1,3,7-Trihydroxy-2,8-dimethoxyxanthone
PubChem CID: 5323522
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| Compound Synonyms | CHEMBL5287044, 1,3,7-Trihydroxy-2,8-dimethoxyxanthone, Securixanthone A, BDBM50611921, 1,3,7-Trihydroxy-2,8-dimethoxy-xanthen-9-one, 1,3,7-trihydroxy-2,8-dimethoxy-9H-xanthen-9-one, 9H-xanthen-9-one, 1,3,7-trihydroxy-2,8-dimethoxy-, InChI=1/C15H12O7/c1-20-14-6(16)3-4-8-11(14)12(18)10-9(22-8)5-7(17)15(21-2)13(10)19/h3-5,16-17,19H,1-2H |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 428.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,7-trihydroxy-2,8-dimethoxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C15H12O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KUNUETKBUPYSON-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.402 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.01 |
| Compound Name | 1,3,7-Trihydroxy-2,8-dimethoxyxanthone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 304.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.058 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 304.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9174838909090908 |
| Inchi | InChI=1S/C15H12O7/c1-20-14-6(16)3-4-8-11(14)12(18)10-9(22-8)5-7(17)15(21-2)13(10)19/h3-5,16-17,19H,1-2H3 |
| Smiles | COC1=C(C=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)OC)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Securidaca Inappendiculata (Plant) Rel Props:Source_db:cmaup_ingredients