11H-Pyrido[1',2':3,4]pyrimido[2,1,6-de]quinolizin-11-one, tetradecahydro-3-hydroxy-5-methyl-
PubChem CID: 613043
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| Compound Synonyms | IPJWEZOVCXECOG-UHFFFAOYSA-N, 11H-Pyrido[1',2':3,4]pyrimido[2,1,6-de]quinolizin-11-one, tetradecahydro-3-hydroxy-5-methyl-, 11H-Pyrido[1',2':3,4]pyrimido[2,1,6-de]quinolizin-11-one, tetradecahydro-3-hydroxy-5-methyl-, [3R-(3.alpha.,3a.beta.,5.beta.,6a.alpha.,7a.alpha.,12a.beta.)]-, 3-Hydroxy-5-methyltetradecahydro-11H-pyrido[1',2':3,4]pyrimido[2,1,6-de]quinolizin-11-one # |
|---|---|
| Topological Polar Surface Area | 43.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 413.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 14-hydroxy-11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C16H26N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IPJWEZOVCXECOG-UHFFFAOYSA-N |
| Fcsp3 | 0.9375 |
| Logs | -3.649 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.482 |
| Compound Name | 11H-Pyrido[1',2':3,4]pyrimido[2,1,6-de]quinolizin-11-one, tetradecahydro-3-hydroxy-5-methyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 278.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.199 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 278.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7189552 |
| Inchi | InChI=1S/C16H26N2O2/c1-10-7-12-9-11-3-2-4-16(20)18(11)15-6-5-14(19)13(8-10)17(12)15/h10-15,19H,2-9H2,1H3 |
| Smiles | CC1CC2CC3CCCC(=O)N3C4N2C(C1)C(CC4)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Palhinhaea Cernua (Plant) Rel Props:Source_db:cmaup_ingredients