Pervilleine D
AlkaPlorer ID: AK016536
Synonym: None
IUPAC Name: [(3S,6S,7R)-6-hydroxy-8-methyl-7-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy-8-azabicyclo[3.2.1]octan-3-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
Structure
SMILES: COC1=CC(/C=C/C(=O)O[C@@H]2CC3[C@@H](OC(=O)/C=C/C4=CC(OC)=C(OC)C(OC)=C4)[C@@H](O)C(C2)N3C)=CC(OC)=C1OC
InChI: InChI=1S/C32H39NO11/c1-33-21-16-20(43-27(34)10-8-18-12-23(37-2)31(41-6)24(13-18)38-3)17-22(33)30(29(21)36)44-28(35)11-9-19-14-25(39-4)32(42-7)26(15-19)40-5/h8-15,20-22,29-30,36H,16-17H2,1-7H3/b10-8+,11-9+/t20-,21?,22?,29-,30+/m0/s1
InChIKey: GYERRJFXENPCTB-ZOOBDTQDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erythroxylum pervillei | Erythroxylum | Erythroxylaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 613.6600000000002
TPSA？: 131.45000000000002
MolLogP？: 3.125700000000002
Number of H-Donors: 1
Number of H-Acceptors: 12
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Col2 | ED50 | 4.9 | ug ml-1 | 10.1021/np010295+ |
| Homo sapiens | KB | ED50 | 11.0 | ug ml-1 | 10.1021/np010295+ |
| Homo sapiens | LNCaP | ED50 | 14.1 | ug ml-1 | 10.1021/np010295+ |
| Homo sapiens | LOX IMVI | Activity | nan | None | 10.1021/np010295+ |
| Homo sapiens | Lu1 | ED50 | 15.1 | ug ml-1 | 10.1021/np010295+ |
| Homo sapiens | P-glycoprotein 1 | Activity | nan | None | 10.1021/np010295+ |
| Homo sapiens | SW626 | ED50 | 6.5 | ug ml-1 | 10.1021/np010295+ |
| None | NON-PROTEIN TARGET | ED50 | 0.2 | ug ml-1 | 10.1021/np010295+ |
| None | NON-PROTEIN TARGET | ED50 | 9.0 | ug ml-1 | 10.1021/np010295+ |
| None | NON-PROTEIN TARGET | ED50 | 15.0 | ug ml-1 | 10.1021/np010295+ |