Talpinine
PubChem CID: 11834305
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| Compound Synonyms | Talpinine, CHEMBL3338251 |
|---|---|
| Topological Polar Surface Area | 37.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 542.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (2S,13S,15R,16R,19S,20R,21R)-11,19-dimethyl-18-oxa-1,11-diazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5,7,9-tetraen-21-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C20H24N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UTKWZPZEAKXURV-QYEMIGNBSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.893 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.081 |
| Compound Name | Talpinine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 324.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 324.184 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 324.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5275288 |
| Inchi | InChI=1S/C20H24N2O2/c1-10-18-12-7-17-19-13(11-5-3-4-6-15(11)21(19)2)8-16(14(12)9-24-10)22(17)20(18)23/h3-6,10,12,14,16-18,20,23H,7-9H2,1-2H3/t10-,12+,14+,16-,17-,18-,20+/m0/s1 |
| Smiles | C[C@H]1[C@H]2[C@@H]3C[C@H]4C5=C(C[C@@H]([C@@H]3CO1)N4[C@@H]2O)C6=CC=CC=C6N5C |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alstonia Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients