Melicopicine
PubChem CID: 101253
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| Compound Synonyms | Melicopicine, 517-73-7, Melicopicene, 1,2,3,4-Tetramethoxy-10-methylacridin-9(10H)-one, 1,2,3,4-tetramethoxy-10-methylacridin-9-one, 9(10H)-Acridinone, 1,2,3,4-tetramethoxy-10-methyl-, 9-Acridanone, 1,2,3,4-tetramethoxy-10-methyl-, CHEBI:6734, NSC-402921, 1,2,3,4-TETRAMETHOXY-10-METHYLACRIDONE, 1,2,3,4-Tetramethoxy-10-methyl-9(10H)-acridinone, AC1L2QFT, EINECS 208-244-1, 4UCL445ULN, CHEMBL455628, MEGxp0_000254, DTXSID2075429, SCHEMBL15941244, NSC402921, AKOS040734808, FM66023, NSC 402921, NCI60_003789, NS00032342, 9-Acridanone,2,3,4-tetramethoxy-10-methyl-, 9(10H)-Acridinone,2,3,4-tetramethoxy-10-methyl-, Q27107315, 1,2,3,4-Tetramethoxy-10-methyl-9(10H)-acridinone #, Acridin-9(10H)-one, 10-methyl-1,2,3,4-tetramethoxy- |
|---|---|
| Topological Polar Surface Area | 57.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 459.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,3,4-tetramethoxy-10-methylacridin-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C18H19NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | URPVDDXMEZAEJY-UHFFFAOYSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -3.205 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.43 |
| Compound Name | Melicopicine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 329.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 329.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 329.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.594849066666666 |
| Inchi | InChI=1S/C18H19NO5/c1-19-11-9-7-6-8-10(11)14(20)12-13(19)16(22-3)18(24-5)17(23-4)15(12)21-2/h6-9H,1-5H3 |
| Smiles | CN1C2=CC=CC=C2C(=O)C3=C1C(=C(C(=C3OC)OC)OC)OC |
| Nring | 3.0 |
| 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