8,9,11-Trimethoxy-[1,3]dioxolo[4,5-b]xanthen-10-one
PubChem CID: 10065197
Connections displayed (default: 10).
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| Topological Polar Surface Area | 72.5 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 484.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8,9,11-trimethoxy-[1,3]dioxolo[4,5-b]xanthen-10-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C17H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SKKVGEYOXAYAOP-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.688 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.643 |
| Compound Name | 8,9,11-Trimethoxy-[1,3]dioxolo[4,5-b]xanthen-10-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 330.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 330.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.156377066666667 |
| Inchi | InChI=1S/C17H14O7/c1-19-9-5-4-8-12(15(9)20-2)14(18)13-10(24-8)6-11-16(17(13)21-3)23-7-22-11/h4-6H,7H2,1-3H3 |
| Smiles | COC1=C(C2=C(C=C1)OC3=CC4=C(C(=C3C2=O)OC)OCO4)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Jagera Pseudorhus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Linum Catharticum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Myristica Gigantea (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Nothofagus Pumilio (Plant) Rel Props:Source_db:cmaup_ingredients