Thermopsine
PubChem CID: 92768
Connections displayed (default: 10).
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| Compound Synonyms | Thermopsine, Thermospine, RS-Thermopsine, ANAGYRINE, 7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one, 855841-99-5, d-Thermopsine, 3,4,5,6-Tetradehydrospartein-2-one #, SCHEMBL564929, CHEMBL4752273, FQEQMASDZFXSJI-UHFFFAOYSA-N, 7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-E][1,5]diazocin-4-one, 7,7a,8,9,10,11,13,14-octahydro-, [7R-(7.alpha.,7a.alpha.,14.alpha.)]-, 7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one, 7,7a,8,9,10,11,13,14-octahydro-, [7R-(7.alpha.,7a.beta.,14.alpha.)]-, 7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-E][1,5]diazocin-4-one, 7,7a,8,9,10,11,13,14-octahydro-, [7R-(7alpha,7aalpha,14alpha)]-, DB-050105, DB-050242 |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C15H20N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | FQEQMASDZFXSJI-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -1.473 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.373 |
| Compound Name | Thermopsine |
| 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 |
| Esol | -3.2710622666666667 |
| Inchi | InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2 |
| Smiles | C1CCN2CC3CC(C2C1)CN4C3=CC=CC4=O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Thermopsis Alpina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Thermopsis Lanceolata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Thermopsis Lupinoides (Plant) Rel Props:Source_db:npass_chem_all