Noratherosperminine
PubChem CID: 10957406
Connections displayed (default: 10).
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| Compound Synonyms | Noratherosperminine, 74606-53-4, N-noratherosperminine, Theatre-in-the-round, HY-N12157, AKOS040763686, DA-76253, CS-0892551 |
|---|---|
| Topological Polar Surface Area | 30.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 348.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dimethoxyphenanthren-1-yl)-N-methylethanamine |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C19H21NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BRMNMGRFCCRFNA-UHFFFAOYSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -4.269 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.38 |
| Compound Name | Noratherosperminine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 295.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 295.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 295.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.458277490909091 |
| Inchi | InChI=1S/C19H21NO2/c1-20-11-10-14-12-17(21-2)19(22-3)18-15-7-5-4-6-13(15)8-9-16(14)18/h4-9,12,20H,10-11H2,1-3H3 |
| Smiles | CNCCC1=CC(=C(C2=C1C=CC3=CC=CC=C32)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ficus Septica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Paeonia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients