cis-Pervilleine B
AlkaPlorer ID: AK016497
Synonym: '(-)-Pervilleine B', '(-)-cis-Pervilleine B', 'Pervilleine B'
IUPAC Name: [(1S,3S,5R,6S)-8-methyl-6-[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy-8-azabicyclo[3.2.1]octan-3-yl] 3,4,5-trimethoxybenzoate
Structure
SMILES: COC1=CC(/C=C\C(=O)O[C@H]2C[C@@H]3C[C@H](OC(=O)C4=CC(OC)=C(OC)C(OC)=C4)C[C@H]2N3C)=CC(OC)=C1OC
InChI: InChI=1S/C30H37NO10/c1-31-19-14-20(40-30(33)18-12-25(36-4)29(39-7)26(13-18)37-5)16-21(31)22(15-19)41-27(32)9-8-17-10-23(34-2)28(38-6)24(11-17)35-3/h8-13,19-22H,14-16H2,1-7H3/b9-8-/t19-,20-,21+,22-/m0/s1
InChIKey: KKZAOZSLMGOEFU-ZCLAZYOUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erythroxylum pervillei | Erythroxylum | Erythroxylaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 571.6230000000003
TPSA？: 111.22
MolLogP？: 3.7553000000000014
Number of H-Donors: 0
Number of H-Acceptors: 11
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|