1,3,5,6-Tetrahydroxy-7-methoxyxanthen-9-one
PubChem CID: 86180520
Connections displayed (default: 10).
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| Topological Polar Surface Area | 116.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 414.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,5,6-tetrahydroxy-7-methoxyxanthen-9-one |
| Prediction Hob | 0.0 |
| Xlogp | 2.1 |
| Molecular Formula | C14H10O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LOJMAPGMVDHGEL-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -3.429 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.396 |
| Compound Name | 1,3,5,6-Tetrahydroxy-7-methoxyxanthen-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 290.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.043 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 290.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7110407333333333 |
| Inchi | InChI=1S/C14H10O7/c1-20-9-4-6-11(17)10-7(16)2-5(15)3-8(10)21-14(6)13(19)12(9)18/h2-4,15-16,18-19H,1H3 |
| Smiles | COC1=C(C(=C2C(=C1)C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Calophyllum Inophyllum (Plant) Rel Props:Source_db:cmaup_ingredients