Neosophoramine
PubChem CID: 618327
Connections displayed (default: 10).
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| Compound Synonyms | Neosophoramine, 52932-74-8, 7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one, Isosophoramine, 6-Isosophoramine, Matridin-15-one, 11,12,13,14-tetradehydro-, (5beta)-, (7aR,13bS,13cS)-2,3,6,7,7a,8,13b,13c-Octahydro-1H,5H,10H-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one, 1H,5H,10H-Dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one, 2,3,6,7,7a,8,13b,13c-octahydro-, [7aR-(7aalpha,13bbeta,13cbeta)]-, CID 21769980, MMCQRJPAMIHLQX-UHFFFAOYSA-N, CCA93274, 11,12,13,14-Tetradehydromatridin-15-one-, (6.beta.)-, B2703-143573, Matridin-15-one, 11,12,13,14-tetradehydro-, (6.beta.)-, 1H,5H,10H-Dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one, 2,3,6,7,7a,8,13b,13c-octahydro-, (7aS,13bS,13cR)-, 1H,5H,10H-Dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one, 2,3,6,7,7a,8,13b,13c-octahydro-, [7aS-(7a.alpha.,13b.alpha.,13c.beta.)]- |
|---|---|
| Topological Polar Surface Area | 23.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 440.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one |
| Prediction Hob | 1.0 |
| Class | Diazanaphthalenes |
| Xlogp | 1.6 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Naphthyridines |
| Molecular Formula | C15H20N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | MMCQRJPAMIHLQX-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -1.564 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.454 |
| Compound Name | Neosophoramine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.158 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 244.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -3.2710622666666667 |
| Inchi | InChI=1S/C15H20N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,6-7,11-12,15H,2-5,8-10H2 |
| Smiles | C1CC2CN3C(=O)C=CC=C3C4C2N(C1)CCC4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Naphthyridines |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Alopecuroides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Sophora Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Sophora Viciifolia (Plant) Rel Props:Source_db:cmaup_ingredients