9-Methoxy-7-(2,3,6-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
PubChem CID: 12097014
Connections displayed (default: 10).
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| Topological Polar Surface Area | 81.7 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 607.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-methoxy-7-(2,3,6-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C20H18O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YHZQZVMXNMXIGP-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.893 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.542 |
| Compound Name | 9-Methoxy-7-(2,3,6-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 386.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 386.1 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 386.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6449643428571434 |
| Inchi | InChI=1S/C20H18O8/c1-22-11-5-6-12(23-2)18(24-3)15(11)10-8-26-13-7-14-19(28-9-27-14)20(25-4)16(13)17(10)21/h5-8H,9H2,1-4H3 |
| Smiles | COC1=C(C(=C(C=C1)OC)OC)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asparagus Setaceus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Plectranthus Amboinicus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Prunus Yedoensis (Plant) Rel Props:Source_db:cmaup_ingredients