Swainsonine
PubChem CID: 51683
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| Compound Synonyms | swainsonine, 72741-87-8, Tridolgosir, Tridolgosir [INN], (-)-Swainsonine, Swainosine, RSY4RK37KQ, CHEBI:9367, DTXSID5046356, (1S,2R,8R,8aR)-Octahydro-1,2,8-indolizinetriol, (1S,2R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol, 1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-TRIOL, Swainsonine (Synthetic), 1,2,8-Indolizinetriol, octahydro-, (1S-(1alpha,2alpha,8beta,8abeta))-, MFCD00017554, (1S,2R,8R,8aR)-octahydroindolizine-1,2,8-triol, TRIDOLGOSIR [WHO-DD], CHEMBL371197, DTXCID3026356, NCGC00163481-02, Octahydro-1,2,8-indolizinetriol hydrochloride, (1S, 2R, 8R, 8AR)-1,2,8-Indolizidinetriol, (1S,2R,8R,8aR)-Octahydro-indolizine-1,2,8-triol, (-)-(1S,2R,8R,8aR)-1,2,8-Trihydroxyoctahydroindolizine Hydrochloride, 1,2,8-INDOLIZINETRIOL, OCTAHYDRO-, (1S-(1.ALPHA.,2.ALPHA.,8.BETA.,8A.BETA.))-, SWA, UNII-RSY4RK37KQ, tridolgosirum, Locoweed deriv., NSC614553, 1hww, A1IGC, CBiol_001919, BSPBio_001148, KBioGR_000488, KBioSS_000488, CHEMBL63139, SCHEMBL765848, KBio2_000488, KBio2_003056, KBio2_005624, KBio3_000895, KBio3_000896, Bio1_000205, Bio1_000694, Bio1_001183, Bio2_000414, Bio2_000894, HMS1362J09, HMS1792J09, HMS1990J09, HMS3403J09, Octahydro-indolizine-1,2,8-triol, HY-N6722, Tox21_112058, BDBM50016706, BDBM50168995, (1S,2R,8aR)-Octahydroindolizinetriol, AKOS016344385, CCG-208274, DB02034, MS10129, NSC-614553, IDI1_002169, SMP1_000286, NCGC00163481-03, NCGC00163481-04, AC-34386, CAS-72741-87-8, CS-0015643, NS00037401, Q415324, SR-05000002325, (1S,2R,8R,8aR)-1,2,8-Octahydroindolizidinetriol, SR-05000002325-2, 1,8-Indolizinetriol, octahydro-, (1S,2R,8R,8aR)-, BRD-K15170068-001-03-2, 1,2,8-Indolizinetriol, octahydro-, (1S,2R,8R,8aR)-, CFCE4066-9132-492F-B4E1-B50B974FE148, (1S,2R,8R,8?R)-1,2,3,5,6,7,8,8?-Octahydroindolizine-1,2,8-triol, Tridolgosir, 1,8-Indolizinetriol, octahydro-,[1S-(1.alpha.,2.alpha., 8.beta.,8a.beta.)]- |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 63.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Np Classifier Class | Indolizidine alkaloids |
| Deep Smiles | O[C@@H]CN[C@@H][C@@H]5O))[C@H]O)CCC6 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Indolizidines |
| Scaffold Graph Node Level | C1CCN2CCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 176.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | P21139, Q9SEH8, Q72547, O00754, Q8A0E8, P53624, O42275, P81908, n.a., P0DTD1 |
| Iupac Name | (1S,2R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -1.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H15NO3 |
| Scaffold Graph Node Bond Level | C1CCN2CCCC2C1 |
| Inchi Key | FXUAIOOAOAVCGD-WCTZXXKLSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | swainsonine |
| Esol Class | Very soluble |
| Functional Groups | CN(C)C, CO |
| Compound Name | Swainsonine |
| Exact Mass | 173.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 173.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 173.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1 |
| Smiles | C1C[C@H]([C@@H]2[C@@H]([C@@H](CN2C1)O)O)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Castanospermum Australe (Plant) Rel Props:Reference:ISBN:9788172362089