1,7-Dihydroxy-4-methoxyxanthone
PubChem CID: 5465785
Connections displayed (default: 10).
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| Compound Synonyms | 1,7-Dihydroxy-4-methoxyxanthone, 87339-76-2, 1,7-Dihydroxy-4-methoxy-9H-xanthen-9-one, 1,7-dihydroxy-4-methoxyxanthen-9-one, CHEBI:67553, NSC661737, CHEMBL484030, 9H-Xanthen-9-one, 1,7-dihydroxy-4-methoxy-, 1,7-Dihydroxy-4-methoxy-9H-xanthenone, starbld0026872, DTXSID80236284, MDA33976, BDBM50485132, AKOS040760874, NSC-661737, 1,7-dihydroxy-4-methoxy-xanthen-9-one, CS-0148879, Q27136019 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 358.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | B4URF0, n.a. |
| Iupac Name | 1,7-dihydroxy-4-methoxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C14H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YDZGWMWSKOGVLG-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -3.759 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.541 |
| Compound Name | 1,7-Dihydroxy-4-methoxyxanthone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 258.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.011882957894737 |
| Inchi | InChI=1S/C14H10O5/c1-18-11-5-3-9(16)12-13(17)8-6-7(15)2-4-10(8)19-14(11)12/h2-6,15-16H,1H3 |
| Smiles | COC1=C2C(=C(C=C1)O)C(=O)C3=C(O2)C=CC(=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cratoxylum Cochinchinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Hypericum Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Hypericum Scabrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Securidaca Inappendiculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all