Citizin
PubChem CID: 22407
Connections displayed (default: 10).
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| Compound Synonyms | 15191-27-2, (-)-Cytisine, 1,2,3,4,5,6-hexahydro-1,5-methano-pyrido-[1,2-a][1,5]diazocin-8-one, 7,11-Diazatricyclo[7.3.1.0(2,7)]trideca-2,4-dien-6-one, Citizin, 1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, NSC685524, 7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one, Cytisine-(-), 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-, (1R)-, SMR000677926, MLS003171607, Cytisine, Sophorine, Baptitoxine, MFCD00136048, NSC407282, 1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one, 1,5-Methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one, 1,2,3,4,5,6-hexahydro-, 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-, ALBB-006069, (A+/-)-Cytisine, 7,11-diazatricyclo[, Oprea1_221919, MLS001183793, MLS001304973, MLS002207220, SCHEMBL472026, MEGxp0_001711, ACon1_000319, BDBM86311, DTXSID80274727, CHEBI:111178, 7,11-diazatricyclo[7.3.1.0<2,7>]trideca-2,4-dien-6-one, HMS1648K04, HMS2233P08, HMS3369C22, HMS3369J15, HMS3655B22, MFCD00075715, NSC_22407, AKOS005135854, AB03763, NSC-685524, NCGC00017171-02, NCGC00017171-03, NCGC00017171-04, NCGC00017171-05, NCGC00095093-01, NCGC00095093-02, NCGC00095093-03, NCGC00180675-01, CAS_485-35-8, FD117142, NCI60_003868, NCI60_030782, SY057153, DB-008498, CS-0269451, NS00015395, EN300-209212, AB00876252_08, BRD-A38359809-001-01-4, 7,11-diazatricyclo[7.3.1.0,2,7]trideca-2,4-dien-6-one, 1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2- a][1,5]diazocin-8-one, 8-oxo-1,5,6,8-tetrahydro-2H,4H-1,5-methanopyrido[1,2-a][1,5]diazocine, 1,2,3,4,5,6-Hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, (1R)- |
|---|---|
| Topological Polar Surface Area | 32.299 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 332.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.2 |
| Molecular Formula | C11H14N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ANJTVLIZGCUXLD-UHFFFAOYSA-N |
| Fcsp3 | 0.5454545454545454 |
| Logs | 0.63 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.602 |
| Compound Name | Citizin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 190.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.111 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 190.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.136768057142857 |
| Inchi | InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2 |
| Smiles | C1C2CNCC1C3=CC=CC(=O)N3C2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Laburnum Anagyroides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Sophora Alopecuroides (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Sophora Tonkinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Spartium Junceum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Thermopsis Alpina (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Thermopsis Alternifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Thermopsis Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Thermopsis Lanceolata (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Wisteria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients