None
AlkaPlorer ID: AK323874
Synonym: None
IUPAC Name: methyl (2S,3R,4S)-3-ethenyl-4-[[(9S)-7-hydroxy-10-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
Structure
SMILES: C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@H]1C2=C(O)C=CC3=C2C(=CN3)CCN1C
InChI: InChI=1S/C28H36N2O10/c1-4-14-15(9-18-22-19(32)6-5-17-21(22)13(10-29-17)7-8-30(18)2)16(26(36)37-3)12-38-27(14)40-28-25(35)24(34)23(33)20(11-31)39-28/h4-6,10,12,14-15,18,20,23-25,27-29,31-35H,1,7-9,11H2,2-3H3/t14-,15+,18+,20-,23-,24+,25-,27+,28+/m1/s1
InChIKey: DAJVLJJXNCEZND-HHFUMQBNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Psychotria nemorosa | Psychotria | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 560.6000000000001
TPSA？: 174.17
MolLogP？: 0.4406999999999999
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Electrophorus electricus | Acetylcholinesterase | Inhibition | nan | % | 10.1021/acs.jnatprod.9b00469 |
| Equus caballus | Cholinesterase | Inhibition | nan | % | 10.1021/acs.jnatprod.9b00469 |
| Homo sapiens | Monoamine oxidase A | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.9b00469 |
| Homo sapiens | Monoamine oxidase B | Inhibition | nan | % | 10.1021/acs.jnatprod.9b00469 |