(+)-Tricordatine
AlkaPlorer ID: AK067477
Synonym: 'Tricordatine'
IUPAC Name: (8S,21S)-7,22-dimethyl-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-13,27-diol
Structure
SMILES: CN1CCC2=CC3=C4C=C2[C@@H]1CC1=CC=C(O)C(=C1)OC1=CC=C(C=C1)C[C@H]1C2=C(C=C(O)C(=C2O4)O3)CCN1C
InChI: InChI=1S/C34H32N2O5/c1-35-11-9-21-17-30-31-18-24(21)25(35)14-20-5-8-27(37)29(15-20)39-23-6-3-19(4-7-23)13-26-32-22(10-12-36(26)2)16-28(38)33(40-30)34(32)41-31/h3-8,15-18,25-26,37-38H,9-14H2,1-2H3/t25-,26-/m0/s1
InChIKey: ZMFKWCVOCDSEST-UIOOFZCWSA-N
Reference
The alkaloidal profile of cocculus pendulus
PubChem CID: 44559017
LOTUS: LTS0223034
SuperNatural Ⅲ: SN0474210-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Triclisia subcordata | Triclisia | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 548.6390000000002
TPSA？: 74.63000000000001
MolLogP？: 6.64490000000001
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | ED50 | 4900.0 | nM | 10.1021/np980144f |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 90.0 | nM | 10.1021/np980144f |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 259.0 | nM | 10.1021/np980144f |
| None | Unchecked | Selectivity Index | 19.0 | None | 10.1021/np980144f |
| None | Unchecked | Selectivity Index | 55.0 | None | 10.1021/np980144f |