Melicopine
PubChem CID: 68433
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| Compound Synonyms | Melicopine, 568-01-4, 4,5-Dimethoxy-11-methyl-1,3-dioxolo[4,5-c]acridin-6(11H)-one, 4,5-dimethoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one, N1AK9P0BVM, MLS002607894, EINECS 209-308-1, UNII-N1AK9P0BVM, NSC 34758, NSC-34758, 4,5-Dimethoxy-11-methyl-1,3-dioxolo(4,5-c)acridin-6(11H)-one, CHEBI:6735, DTXSID50205346, C10724, 1,3-Dioxolo[4,5-c]acridin-6(11H)-one, 4,5-dimethoxy-11-methyl-, 1,3-Dioxolo(4,5-c)acridin-6(11H)-one, 4,5-dimethoxy-11-methyl-, 4,5-Dimethoxy-methyl-1,3-dioxolo(4,5-c)acridin-6(11H)-one, 4,5-Dimethoxy-11-Methyl-(1,3)Dioxolo(4,5-C)Acridin-6-One, CHEMBL1876999, DTXCID50127837, HMS3078I24, NSC34758, FM65855, NCI60_003090, SMR001526656, NS00033582, Q27107316, 1,5-c]acridin-6(11H)-one, 4,5-dimethoxy-11-methyl-, 4,5-Dimethoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6(11H)-one, 4,5-Dimethoxy-11-methyl[1,3]dioxolo[4,5-c]acridin-6(11H)-one #, 1,3-Dioxolo(4,5-c)acridin-6(11H)-one, 4,5-dimethoxy-11-methyl-(8CI), 1,3-Dioxolo(4,5-c)acridin-6(11H)-one, 4,5-dimethoxy-11-methyl-(8CI)(9CI) |
|---|---|
| Topological Polar Surface Area | 57.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 472.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O95149, P83916, P39748, P11940, Q99700, P43220, P63092, Q13526, Q9NUW8 |
| Iupac Name | 4,5-dimethoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one |
| Prediction Hob | 1.0 |
| Target Id | NPT4355 |
| Xlogp | 2.9 |
| Molecular Formula | C17H15NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PEWWLIQAXYMMAN-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.776 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.394 |
| Compound Name | Melicopine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 313.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 313.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 313.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.564250582608696 |
| Inchi | InChI=1S/C17H15NO5/c1-18-10-7-5-4-6-9(10)13(19)11-12(18)15-17(23-8-22-15)16(21-3)14(11)20-2/h4-7H,8H2,1-3H3 |
| Smiles | CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C(=C3OC)OC)OCO4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Limonium Bicolor (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all