None
AlkaPlorer ID: AK323876
Synonym: None
IUPAC Name: methyl (2S,3R,4S)-2-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-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]-3,4-dihydro-2H-pyran-5-carboxylate
Structure
SMILES: C=C[C@H]1[C@H](O[C@@H]2O[C@H](COC(=O)/C=C/C3=CC=C(OC)C(OC)=C3)[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/C39H46N2O13/c1-6-22-23(16-26-33-27(42)10-9-25-32(33)21(17-40-25)13-14-41(26)2)24(37(47)50-5)18-52-38(22)54-39-36(46)35(45)34(44)30(53-39)19-51-31(43)12-8-20-7-11-28(48-3)29(15-20)49-4/h6-12,15,17-18,22-23,26,30,34-36,38-40,42,44-46H,1,13-14,16,19H2,2-5H3/b12-8+/t22-,23+,26+,30-,34-,35+,36-,38+,39+/m1/s1
InChIKey: HNUFTWPPHJNPFU-IAHZPEPOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Psychotria nemorosa | Psychotria | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 750.7979999999999
TPSA？: 198.7
MolLogP？: 2.7222
Number of H-Donors: 5
Number of H-Acceptors: 14
RingCount: 6
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 |