(4R)-1-hydroxy-2,4-dimethoxy-10-methyl-4-(3-methylbut-2-enyl)acridine-3,9-dione
PubChem CID: 163040837
Connections displayed (default: 10).
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| Topological Polar Surface Area | 76.1 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 759.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4R)-1-hydroxy-2,4-dimethoxy-10-methyl-4-(3-methylbut-2-enyl)acridine-3,9-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C21H23NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NKIILTMQVNPWHF-OAQYLSRUSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.778 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.608 |
| Compound Name | (4R)-1-hydroxy-2,4-dimethoxy-10-methyl-4-(3-methylbut-2-enyl)acridine-3,9-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 369.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 369.158 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 369.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.076259474074074 |
| Inchi | InChI=1S/C21H23NO5/c1-12(2)10-11-21(27-5)19-15(17(24)18(26-4)20(21)25)16(23)13-8-6-7-9-14(13)22(19)3/h6-10,24H,11H2,1-5H3/t21-/m1/s1 |
| Smiles | CC(=CC[C@]1(C2=C(C(=C(C1=O)OC)O)C(=O)C3=CC=CC=C3N2C)OC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cephalotaxus Mannii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Galium Aparine (Plant) Rel Props:Source_db:cmaup_ingredients