Apicularen A
AlkaPlorer ID: AK023142
Synonym: 'Apicularene A', '(-)-Apicularen A', 'Apicularen A'
IUPAC Name: (2Z,4Z)-N-[(E)-3-[(1S,11S,13R,15R)-7,15-dihydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-11-yl]prop-1-enyl]hepta-2,4-dienamide
Structure
SMILES: CC/C=C\C=C/C(O)=N/C=C/C[C@H]1C[C@H]2C[C@H](O)C[C@H](CC3=CC=CC(O)=C3C(=O)O1)O2
InChI: InChI=1S/C25H31NO6/c1-2-3-4-5-11-23(29)26-12-7-9-19-16-21-15-18(27)14-20(31-21)13-17-8-6-10-22(28)24(17)25(30)32-19/h3-8,10-12,18-21,27-28H,2,9,13-16H2,1H3,(H,26,29)/b4-3-,11-5-,12-7+/t18-,19+,20+,21-/m1/s1
InChIKey: MVOORUCGKRDJFW-ZZBSXQHZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chondromyces robustus | Chondromyces | Polyangiaceae | Polyangiales | None | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 441.5240000000002
TPSA？: 108.58
MolLogP？: 4.155000000000005
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 1A9 | IC50 | 0.78 | nM | 10.1021/jm050524f |
| None | Unchecked | IC50 | 20.0 | nM | 10.1021/np070098w |