Trilobine
Representations & DB's id
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| ChEBI: | CHEBI:9723 | |
|---|---|---|
| ChEMBL: | CHEMBL500324 | |
| PubChem: | 169007 | |
| IUPAC: | (8S,21S)-13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaene | |
| Standard InChI: | InChI=1S/C35H34N2O5/c1-37-13-11-22-17-30-31-19-25(22)27(37)15-21-6-9-28(38-2)29(16-21)40-24-7-4-20(5-8-24)14-26-33-23(10-12-36-26)18-32(39-3)34(41-30)35(33)42-31/h4-9,16-19,26-27,36H,10-15H2,1-3H3/t26-,27-/m0/s1 | |
| Standard InChI Key: | XZAXGQMTBGFTFE-SVBPBHIXSA-N | |
| SMILES: | COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1NCCc3c1c1Oc4cc5[C@H](C2)N(C)CCc5cc4Oc1c(c3)OC | |
Molecular propeties
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| AlogP: | 6.91 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 9 | |
| Molecular Weight: | 562.25 | |
| Topological polar surface area: | 61.4 | |
| Number of aromatic rings: | 4 | |
| Fsp3: | 0.314 | |
| Number of carbons: | 35 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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