N-Methylatalaphylline
PubChem CID: 15286416
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | N-Methylatalaphylline, CHEMBL4163976, AKOS040763208, 1,3,5-trihydroxy-10-methyl-2,4-bis(3-methylbut-2-enyl)acridin-9-one |
|---|---|
| Topological Polar Surface Area | 81.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 664.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,5-trihydroxy-10-methyl-2,4-bis(3-methylbut-2-enyl)acridin-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.5 |
| Molecular Formula | C24H27NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ISJBDHUGVDBULE-UHFFFAOYSA-N |
| Fcsp3 | 0.2916666666666667 |
| Logs | -2.937 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.073 |
| Compound Name | N-Methylatalaphylline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 393.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 393.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 393.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.091535979310346 |
| Inchi | InChI=1S/C24H27NO4/c1-13(2)9-11-16-21-19(24(29)17(22(16)27)12-10-14(3)4)23(28)15-7-6-8-18(26)20(15)25(21)5/h6-10,26-27,29H,11-12H2,1-5H3 |
| Smiles | CC(=CCC1=C2C(=C(C(=C1O)CC=C(C)C)O)C(=O)C3=C(N2C)C(=CC=C3)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atalantia Buxifolia (Plant) Rel Props:Source_db:cmaup_ingredients