Melicopidine
PubChem CID: 68060
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| Compound Synonyms | Melicopidine, 475-91-2, 4,11-dimethoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10-one, NSC34757, 4,11-Dimethoxy-5-methyl-1,3-dioxolo(4,5-b)acridin-10(5H)-one, MLS002702837, 38R6F4CJ0M, 1,3-Dioxolo(4,5-b)acridin-10(5H)-one, 4,11-dimethoxy-5-methyl-, 1,3-Dioxolo[4,5-b]acridin-10(5H)-one, 4,11-dimethoxy-5-methyl-, 4,11-Dimethoxy-5-methyl-1,3-dioxolo[4,5-b]acridin-10(5H)-one, NSC-34757, EINECS 207-502-0, NSC 34757, BRN 0335565, Melicopidene, NCIMech_000790, UNII-38R6F4CJ0M, 4-27-00-06649 (Beilstein Handbook Reference), CHEMBL1864207, DTXSID3075410, CHEBI:167835, CCG-36017, CCG-36117, FM65850, NCI60_003089, PD011896, SMR001566662, NS00015831, 1,5-b]acridin-10(5H)-one, 4,11-dimethoxy-5-methyl-, 4,11-dimethoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10(5H)-one |
|---|---|
| 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, P84022, O75496, Q99700 |
| Iupac Name | 4,11-dimethoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C17H15NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TZZNUDMEMFBPQI-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.799 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.396 |
| Compound Name | Melicopidine |
| 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(21-3)17-16(14(11)20-2)22-8-23-17/h4-7H,8H2,1-3H3 |
| Smiles | CN1C2=CC=CC=C2C(=O)C3=C1C(=C4C(=C3OC)OCO4)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Limonium Bicolor (Plant) Rel Props:Source_db:npass_chem_all