5-Methoxymaculine
PubChem CID: 637256
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| Compound Synonyms | 5-Methoxymaculine, 9,10-dimethoxy[1,3]dioxolo[4,5-g]furo[2,3-b]quinoline, 1,3-dioxolo[4,5-g]furo[2,3-b]quinoline, 9,10-dimethoxy-, 9,10-Dimethoxy-[1,3]dioxolo[4,5-g]furo[2,3-b]quinoline, 9,10-dimethoxy(1,3)dioxolo(4,5-g)furo(2,3-b)quinoline, 9,10-Dimethoxy-(1,3)dioxolo(4,5-g)furo(2,3-b)quinoline, 1,3-dioxolo(4,5-g)furo(2,3-b)quinoline, 9,10-dimethoxy-, 8,10-dimethoxy-4,12,14-trioxa-2-azatetracyclo(7.7.0.03,7.011,15)hexadeca-1(16),2,5,7,9,11(15)-hexaene, 8,10-dimethoxy-4,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaene, CHEMBL461610, 524698-55-3 |
|---|---|
| Topological Polar Surface Area | 63.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 367.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8,10-dimethoxy-4,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaene |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C14H11NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GJMFVFKPADGXCP-UHFFFAOYSA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -3.438 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.032 |
| Compound Name | 5-Methoxymaculine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 273.064 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 273.064 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 273.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5715128 |
| Inchi | InChI=1S/C14H11NO5/c1-16-11-7-3-4-18-14(7)15-8-5-9-12(20-6-19-9)13(17-2)10(8)11/h3-5H,6H2,1-2H3 |
| Smiles | COC1=C2C=COC2=NC3=CC4=C(C(=C31)OC)OCO4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oricia Suaveolens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Vepris Punctata (Plant) Rel Props:Source_db:cmaup_ingredients