Galanthine
PubChem CID: 10403528
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| Compound Synonyms | GALANTHINE, 517-78-2, (1S,14S,15S,16S)-4,5,14-trimethoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraen-15-ol, Galanthin, 3,12-Didehydro-2beta,9,10-trimethoxygalanthan-1alpha-ol, SCHEMBL7051881, CHEMBL1172893, DTXSID10904247, BDBM50278088, AKOS040734807, NCGC00384634-01, NS00094170, NCGC00384634-01_C18H23NO4_1H-Pyrrolo[3,2,1-de]phenanthridin-1-ol, 2,4,5,7,11b,11c-hexahydro-2,9,10-trimethoxy-, (1S,2S,11bS,11cS)- |
|---|---|
| Topological Polar Surface Area | 51.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 482.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | n.a., P22303 |
| Iupac Name | (1S,14S,15S,16S)-4,5,14-trimethoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraen-15-ol |
| Prediction Hob | 1.0 |
| Target Id | NPT204 |
| Xlogp | 0.6 |
| Molecular Formula | C18H23NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VOIMPDXOQJYVDI-WNRNVDISSA-N |
| Fcsp3 | 0.5555555555555556 |
| Logs | -1.545 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.849 |
| Compound Name | Galanthine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 317.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 317.163 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 317.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2123304782608697 |
| Inchi | InChI=1S/C18H23NO4/c1-21-13-7-11-9-19-5-4-10-6-15(23-3)18(20)16(17(10)19)12(11)8-14(13)22-2/h6-8,15-18,20H,4-5,9H2,1-3H3/t15-,16-,17+,18+/m0/s1 |
| Smiles | CO[C@H]1C=C2CCN3[C@H]2[C@@H]([C@@H]1O)C4=CC(=C(C=C4C3)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zephyranthes Carinata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all