None
AlkaPlorer ID: AK323707
Synonym: None
IUPAC Name: (2S)-1-[[(3R,3aR,4S,6S,7R,7aR)-6-ethenyl-4-[(E)-2-(hydroxymethyl)but-2-enoyl]oxy-7-(3-hydroxyprop-1-en-2-yl)-6-methyl-2-oxo-3,3a,4,5,7,7a-hexahydro-1-benzofuran-3-yl]methyl]pyrrolidine-2-carboxylic acid
Structure
SMILES: C=C[C@]1(C)C[C@H](OC(=O)/C(=C/C)CO)[C@@H]2[C@H](OC(=O)[C@H]2CN2CCC[C@H]2C(=O)O)[C@H]1C(=C)CO
InChI: InChI=1S/C25H35NO8/c1-5-15(13-28)23(31)33-18-10-25(4,6-2)20(14(3)12-27)21-19(18)16(24(32)34-21)11-26-9-7-8-17(26)22(29)30/h5-6,16-21,27-28H,2-3,7-13H2,1,4H3,(H,29,30)/b15-5+/t16-,17-,18-,19+,20+,21-,25+/m0/s1
InChIKey: RSQIRHPSQJDQQU-ZDSZYRGBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Onopordum alexandrinum | Onopordum | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 477.5540000000004
TPSA？: 133.60000000000002
MolLogP？: 1.3043000000000002
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacteria | Bacteria | IC50 | 50000.0 | nM | 10.1021/acs.jnatprod.8b00948 |
| Homo sapiens | Tyrosinase | IC50 | 50000.0 | nM | 10.1021/acs.jnatprod.8b00948 |
| Leishmania | Leishmania | IC50 | 50000.0 | nM | 10.1021/acs.jnatprod.8b00948 |