Chaunolidine A
AlkaPlorer ID: AK031624
Synonym: 'Chaunolidine A', 'Tolypocladenol B'
IUPAC Name: (3Z,5R)-3-[(Z,2S,4S)-1-hydroxy-2,4-dimethyloct-6-enylidene]-5-[(R)-hydroxy-(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dione
Structure
SMILES: C/C=C\C[C@H](C)C[C@H](C)/C(O)=C1\C(=O)[C@@H]([C@H](O)C2=CC=C(O)C=C2)N=C1O
InChI: InChI=1S/C21H27NO5/c1-4-5-6-12(2)11-13(3)18(24)16-20(26)17(22-21(16)27)19(25)14-7-9-15(23)10-8-14/h4-5,7-10,12-13,17,19,23-25H,6,11H2,1-3H3,(H,22,27)/b5-4-,18-16-/t12-,13-,17+,19+/m0/s1
InChIKey: IWIISBMWNKBQQH-OMBQEDPYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tolypocladium cylindrosporum | Tolypocladium | Ophiocordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 373.44900000000007
TPSA？: 110.35
MolLogP？: 3.774000000000002
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | IC50 | 40000.0 | nM | 10.1021/np501018w |
| Homo sapiens | A549 | IC50 | 40000.0 | nM | 10.1021/np501018w |
| Homo sapiens | K562 | IC50 | 40000.0 | nM | 10.1021/np501018w |
| Homo sapiens | MDA-MB-231 | IC50 | 40000.0 | nM | 10.1021/np501018w |