N-(14-methylallyl)norgalanthamine
PubChem CID: 24863955
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| Compound Synonyms | N-(14-methylallyl)norgalanthamine, CHEMBL442287, BDBM50237933 |
|---|---|
| Topological Polar Surface Area | 41.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 533.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,12S,14R)-9-methoxy-4-(2-methylprop-2-enyl)-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C20H25NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FEKQBPRIVQKBRM-KNBMTAEXSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.122 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.646 |
| Compound Name | N-(14-methylallyl)norgalanthamine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 327.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 327.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 327.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.810028800000001 |
| Inchi | InChI=1S/C20H25NO3/c1-13(2)11-21-9-8-20-7-6-15(22)10-17(20)24-19-16(23-3)5-4-14(12-21)18(19)20/h4-7,15,17,22H,1,8-12H2,2-3H3/t15-,17-,20-/m0/s1 |
| Smiles | CC(=C)CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Leucojum Aestivum (Plant) Rel Props:Source_db:cmaup_ingredients