Tiliacorine
AlkaPlorer ID: AK011573
Synonym: None
IUPAC Name: (8S,21R)-16,27-dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25,27,32-dodecaen-13-ol
Structure
SMILES: COC1=CC=C2C=C1C1=C(O)C=CC(=C1)C[C@H]1C3=C(C=C4OC5=C(OC)C=C6CCN(C)[C@H](C2)C6=C5OC4=C3)CCN1C
InChI: InChI=1S/C36H36N2O5/c1-37-11-9-22-17-31-32-19-24(22)27(37)15-20-5-7-29(39)25(13-20)26-14-21(6-8-30(26)40-3)16-28-34-23(10-12-38(28)2)18-33(41-4)35(42-31)36(34)43-32/h5-8,13-14,17-19,27-28,39H,9-12,15-16H2,1-4H3/t27-,28+/m0/s1
InChIKey: DQIJJKSVYLLDQW-WUFINQPMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tiliacora triandra | Tiliacora | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 576.6930000000002
TPSA？: 63.63
MolLogP？: 6.831200000000006
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Electrophorus electricus | Acetylcholinesterase | IC50 | nan | None | 10.1007/s00044-008-9122-3 |
| Electrophorus electricus | Acetylcholinesterase | Inhibition | 60.3 | % | 10.1007/s00044-008-9122-3 |
| Electrophorus electricus | Acetylcholinesterase | Inhibition | nan | % | 10.1007/s00044-008-9122-3 |
| Equus caballus | Cholinesterase | Inhibition | nan | % | 10.1007/s00044-008-9122-3 |
| Homo sapiens | MRC5 | Activity | nan | None | 10.1016/j.bmcl.2012.02.053 |
| Homo sapiens | MRC5 | IC50 | 3.87 | ug.mL-1 | 10.1016/j.bmcl.2012.02.053 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 3.1 | ug.mL-1 | 10.1016/j.bmcl.2012.02.053 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 6.2 | ug.mL-1 | 10.1016/j.bmcl.2012.02.053 |