2,8-Dihydroxy-1-methoxyxanthone
PubChem CID: 5464640
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| Compound Synonyms | NSC661740, 2,8-dihydroxy-1-methoxyxanthone, 2,8-dihydroxy-1-methoxyxanthen-9-one, 1,7-Dihydroxy-8-methoxyxanthon, CHEMBL1170235, 1,7-Dihydroxy-8-methoxyxanthone, NSC-661740, 2,8-dihydroxy-1-methoxy-xanthen-9-one, 6758-64-1 |
|---|---|
| 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;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,8-dihydroxy-1-methoxyxanthen-9-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Is Pains | False |
| Molecular Formula | C14H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HMNUZPXEMGNMTG-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 2,8-Dihydroxy-1-methoxyxanthone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.053 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| 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/c1-18-14-8(16)5-6-10-12(14)13(17)11-7(15)3-2-4-9(11)19-10/h2-6,15-16H,1H3 |
| Smiles | COC1=C(C=CC2=C1C(=O)C3=C(C=CC=C3O2)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Iphigenia Indica (Plant) Rel Props:Source_db:cmaup_ingredients