None
AlkaPlorer ID: AK323708
Synonym: None
IUPAC Name: (2S)-1-[[(3R,3aR,4S,6E,10Z,11aR)-10-(hydroxymethyl)-4-[2-(hydroxymethyl)prop-2-enoyloxy]-6-methyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-3-yl]methyl]pyrrolidine-2-carboxylic acid
Structure
SMILES: C=C(CO)C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C/[C@H]2OC(=O)[C@@H](CN3CCC[C@H]3C(=O)O)[C@H]12
InChI: InChI=1S/C24H33NO8/c1-14-5-3-6-16(13-27)10-20-21(19(9-14)32-23(30)15(2)12-26)17(24(31)33-20)11-25-8-4-7-18(25)22(28)29/h5,10,17-21,26-27H,2-4,6-9,11-13H2,1H3,(H,28,29)/b14-5+,16-10-/t17-,18-,19-,20+,21+/m0/s1
InChIKey: WHIQOZMKYGAABU-HMLLAPGCSA-N
Reference
2,3-Secogermacranolides and germacranolides from Pyrethrum santolionoides
PubChem CID: 155530485
NPASS: NPC484300
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Onopordum alexandrinum | Onopordum | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 463.5270000000002
TPSA？: 133.6
MolLogP？: 1.2024
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 |