Pervilleine E
AlkaPlorer ID: AK023593
Synonym: '(+)-Pervilleine E'
IUPAC Name: [(3S,6S)-3-[2-(3-hydroxyphenyl)acetyl]oxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
Structure
SMILES: COC1=CC(/C=C/C(=O)O[C@H]2CC3C[C@H](OC(=O)CC4=CC=CC(O)=C4)CC2N3C)=CC(OC)=C1OC
InChI: InChI=1S/C28H33NO8/c1-29-19-14-21(36-27(32)13-17-6-5-7-20(30)10-17)16-22(29)23(15-19)37-26(31)9-8-18-11-24(33-2)28(35-4)25(12-18)34-3/h5-12,19,21-23,30H,13-16H2,1-4H3/b9-8+/t19?,21-,22?,23-/m0/s1
InChIKey: IYHVGWKIDIDOTL-VSFWMKEWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erythroxylum pervillei | Erythroxylum | Erythroxylaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 511.5710000000003
TPSA？: 103.76
MolLogP？: 3.3640000000000025
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Col2 | ED50 | 13.4 | ug ml-1 | 10.1021/np010295+ |
| Homo sapiens | KB | ED50 | 14.7 | ug ml-1 | 10.1021/np010295+ |
| Homo sapiens | LNCaP | ED50 | 20.0 | ug ml-1 | 10.1021/np010295+ |
| Homo sapiens | Lu1 | ED50 | 20.0 | ug ml-1 | 10.1021/np010295+ |
| Homo sapiens | SW626 | ED50 | 8.4 | ug ml-1 | 10.1021/np010295+ |
| None | NON-PROTEIN TARGET | ED50 | 1.9 | ug ml-1 | 10.1021/np010295+ |
| None | NON-PROTEIN TARGET | ED50 | 20.0 | ug ml-1 | 10.1021/np010295+ |