4'-O-Methylnorbelladine
PubChem CID: 253994
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| Compound Synonyms | 4579-60-6, 4'-O-Methylnorbelladine, N-(p-Hydroxyphenethyl)-N-(3-hydroxy-4-methoxy)benzylamine, Inetermediate of galanthamine 1, 5-[[2-(4-hydroxyphenyl)ethylamino]methyl]-2-methoxyphenol, N-isovanillyltyramine, 5-({[2-(4-Hydroxyphenyl)ethyl]amino}methyl)-2-methoxyphenol, CHEBI:80667, DTXSID50291729, 5-((2-(4-hydroxyphenyl)ethylamino)methyl)-2-methoxyphenol, 5-(((2-(4-HYDROXYPHENYL)ETHYL)AMINO)METHYL)-2-METHOXYPHENOL, NSC77594, MFCD01444586, Probes1_000056, Probes2_000396, SCHEMBL1719403, CHEMBL4471934, DTXCID50242872, N-(4-hydroxyphenethyl)-N-(3-hydroxy-4-methoxy)benzylamine, SDLILULALIDNSO-UHFFFAOYSA-N, NSC-77594, AKOS000280536, FH24449, AS-87189, CS-0452730, F87974, Q27149709, 5-(((4-Hydroxyphenethyl)amino)methyl)-2-methoxyphenol, 2-Benzenol,1-methoxy-4-[[[2-(4-hydroxyphenyl)ethyl]amino]methyl]-, 5-(([2-(4-Hydroxyphenyl)ethyl]amino)methyl)-2-methoxyphenol # |
|---|---|
| Topological Polar Surface Area | 61.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 266.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[[2-(4-hydroxyphenyl)ethylamino]methyl]-2-methoxyphenol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Is Pains | False |
| Molecular Formula | C16H19NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SDLILULALIDNSO-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Rotatable Bond Count | 6.0 |
| Compound Name | 4'-O-Methylnorbelladine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 273.136 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 273.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 273.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1639583999999994 |
| Inchi | InChI=1S/C16H19NO3/c1-20-16-7-4-13(10-15(16)19)11-17-9-8-12-2-5-14(18)6-3-12/h2-7,10,17-19H,8-9,11H2,1H3 |
| Smiles | COC1=C(C=C(C=C1)CNCCC2=CC=C(C=C2)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Leucojum Aestivum (Plant) Rel Props:Source_db:cmaup_ingredients