Cyfusine
PubChem CID: 11708150
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| Compound Synonyms | CYFUSINE, 1,2,3,3a,4,9b-hexahydropyrrolo(3,4-a)indolizin-6-one, 1,2,3,3a,4,9b-hexahydropyrrolo[3,4-a]indolizin-6-one, (+/-)-cyfusine, CHEMBL404660, SCHEMBL4174629, CXOGMMQKRNROKJ-UHFFFAOYSA-N, BDBM50375266, 1,2,3,3a,8,8a-Hexahydro-2,7a-diaza-cyclopenta[a]inden-7-one |
|---|---|
| Topological Polar Surface Area | 32.299 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 319.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P12390, P32297, Q05941 |
| Iupac Name | 1,2,3,3a,4,9b-hexahydropyrrolo[3,4-a]indolizin-6-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.2 |
| Molecular Formula | C10H12N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | CXOGMMQKRNROKJ-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | 0.205 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.357 |
| Compound Name | Cyfusine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 176.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 176.095 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 176.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8473962615384616 |
| Inchi | InChI=1S/C10H12N2O/c13-10-3-1-2-9-8-5-11-4-7(8)6-12(9)10/h1-3,7-8,11H,4-6H2 |
| Smiles | C1C2CN3C(=O)C=CC=C3C2CN1 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysanthum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all