Normelicopicine
PubChem CID: 5378563
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| Compound Synonyms | Normelicopicine, O-Normelicopicine, 9-Acridanone, 1-hydroxy-2,3,4-trimethoxy-10-methyl-, 7008-68-6, 1-hydroxy-2,3,4-trimethoxy-10-methylacridin-9-one, 9(10H)-Acridinone, 1-hydroxy-2,3,4-trimethoxy-10-methyl-, CHEMBL453816, 1-hydroxy-10-methyl-2,3,4-trimethoxy-acridine-9-one, 1-Hydroxy-2,3,4-trimethoxy-10-methyl-9(10H)-acridinone, 1-Hydroxy-2,3,4-trimethoxy-10-methyl-9(10H)-acridinone # |
|---|---|
| Topological Polar Surface Area | 68.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 445.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-hydroxy-2,3,4-trimethoxy-10-methylacridin-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C17H17NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UGEKWKMLXLFVIY-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.652 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.201 |
| Compound Name | Normelicopicine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 315.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 315.111 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 315.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.731249782608695 |
| Inchi | InChI=1S/C17H17NO5/c1-18-10-8-6-5-7-9(10)13(19)11-12(18)15(21-2)17(23-4)16(22-3)14(11)20/h5-8,20H,1-4H3 |
| Smiles | CN1C2=CC=CC=C2C(=O)C3=C1C(=C(C(=C3O)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