8-Hydroxy-11-methoxy-[1,3]dioxolo[4,5-b]xanthen-10-one
PubChem CID: 5318271
Connections displayed (default: 10).
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| Topological Polar Surface Area | 74.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 426.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-hydroxy-11-methoxy-[1,3]dioxolo[4,5-b]xanthen-10-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C15H10O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QFXVMBHQFBMSEL-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.639 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.588 |
| Compound Name | 8-Hydroxy-11-methoxy-[1,3]dioxolo[4,5-b]xanthen-10-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 286.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8942151333333332 |
| Inchi | InChI=1S/C15H10O6/c1-18-15-12-10(5-11-14(15)20-6-19-11)21-9-3-2-7(16)4-8(9)13(12)17/h2-5,16H,6H2,1H3 |
| Smiles | COC1=C2C(=CC3=C1OCO3)OC4=C(C2=O)C=C(C=C4)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glaucium Flavum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Polygala Arillata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Sesbania Bispinosa (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Tephrosia Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients