5,8-Dimethoxymaculine
PubChem CID: 11779731
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| Compound Synonyms | 5,8-dimethoxymaculine, 8,10,16-trimethoxy-4,12,14-trioxa-2-azatetracyclo(7.7.0.03,7.011,15)hexadeca-1(9),2,5,7,10,15-hexaene, 8,10,16-trimethoxy-4,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),2,5,7,10,15-hexaene, 58-Dimethoxymaculine, CHEMBL451206, 524698-56-4 |
|---|---|
| Topological Polar Surface Area | 72.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 409.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8,10,16-trimethoxy-4,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),2,5,7,10,15-hexaene |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C15H13NO6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | COJPQYSBAPMFIW-UHFFFAOYSA-N |
| Fcsp3 | 0.2666666666666666 |
| Logs | -3.264 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.878 |
| Compound Name | 5,8-Dimethoxymaculine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 303.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 303.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 303.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6290467272727276 |
| Inchi | InChI=1S/C15H13NO6/c1-17-10-7-4-5-20-15(7)16-9-8(10)11(18-2)13-14(12(9)19-3)22-6-21-13/h4-5H,6H2,1-3H3 |
| Smiles | COC1=C2C=COC2=NC3=C1C(=C4C(=C3OC)OCO4)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vepris Punctata (Plant) Rel Props:Source_db:cmaup_ingredients