None
AlkaPlorer ID: AK323705
Synonym: None
IUPAC Name: (2S)-1-[[(3R,3aR,4S,6S,7R,7aR)-6-ethenyl-4-[(2S)-3-hydroxy-2-methylpropanoyl]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@@H](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/C24H35NO8/c1-5-24(4)9-17(32-22(30)14(3)12-27)18-15(10-25-8-6-7-16(25)21(28)29)23(31)33-20(18)19(24)13(2)11-26/h5,14-20,26-27H,1-2,6-12H2,3-4H3,(H,28,29)/t14-,15-,16-,17-,18+,19+,20-,24+/m0/s1
InChIKey: OFDBWWHUPASCOH-QLEBMMEXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Onopordum alexandrinum | Onopordum | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 465.5430000000004
TPSA？: 133.60000000000002
MolLogP？: 0.9941000000000006
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 |