Gymnastatin Q
AlkaPlorer ID: AK061775
Synonym: None
IUPAC Name: (2E,4E,6R)-N-[(1S,2R,3S,5S,9S)-1,7-dichloro-2,5-dihydroxy-9-methoxy-8-oxo-3-bicyclo[3.3.1]non-6-enyl]-4,6-dimethyldodeca-2,4-dienamide
Structure
SMILES: CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@]2(O)C=C(Cl)C(=O)[C@](Cl)([C@@H]1O)[C@H]2OC
InChI: InChI=1S/C24H35Cl2NO5/c1-5-6-7-8-9-15(2)12-16(3)10-11-19(28)27-18-14-23(31)13-17(25)20(29)24(26,21(18)30)22(23)32-4/h10-13,15,18,21-22,30-31H,5-9,14H2,1-4H3,(H,27,28)/b11-10+,16-12+/t15-,18+,21-,22+,23-,24+/m1/s1
InChIKey: MZPLGIXULRXDSO-HKYLIPGXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gymnascella dankaliensis | Gymnascella | Gymnoascaceae | Onygenales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Gymnascella sp. | Gymnascella | Gymnoascaceae | Onygenales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 488.4520000000001
TPSA？: 95.86
MolLogP？: 3.773900000000002
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | MKN-7 | GI50 | 6760.83 | nM | 10.1021/np070529a |
| Mus musculus | P388 | ED50 | 1.7 | ug ml-1 | 10.1021/np070529a |
| Mus musculus | P388 | GI50 | 15488.17 | nM | 10.1021/np070529a |
| None | NON-PROTEIN TARGET | GI50 | 3388.44 | nM | 10.1021/np070529a |