Fdm A
AlkaPlorer ID: AK025149
Synonym: None
IUPAC Name: (8S)-1',3',9-trihydroxy-6'-methoxy-3-[(1E,3E)-penta-1,3-dienyl]spiro[6,7-dihydro-2H-cyclopenta[g]isoquinoline-8,2'-cyclopenta[b]naphthalene]-1,4',5',8',9'-pentone
Structure
SMILES: C/C=C/C=C/C1=CC2=C(C(O)=C3C(=C2)CC[C@@]32C(=O)C3=C(C2=O)C(O)=C2C(=O)C(OC)=CC(=O)C2=C3O)C(=O)N1
InChI: InChI=1S/C30H21NO9/c1-3-4-5-6-14-10-13-9-12-7-8-30(22(12)26(36)17(13)29(39)31-14)27(37)20-21(28(30)38)25(35)19-18(24(20)34)15(32)11-16(40-2)23(19)33/h3-6,9-11,34-36H,7-8H2,1-2H3,(H,31,39)/b4-3+,6-5+/t30-/m0/s1
InChIKey: BZONSJUONOFNNP-MHSJTTIKSA-N
Reference
Improvement of secondary metabolite production in Streptomyces by manipulating pathway regulation
LOTUS: LTS0102969
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces griseus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 539.4960000000003
TPSA？: 171.05999999999997
MolLogP？: 3.406700000000002
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | EC50 | 1800.0 | nM | 10.1021/np070664n |
| Homo sapiens | DU-145 | EC50 | 2700.0 | nM | 10.1021/np070664n |
| Homo sapiens | HCT-15 | EC50 | 2400.0 | nM | 10.1021/np070664n |
| Homo sapiens | HT-29 | EC50 | 570.0 | nM | 10.1021/np070664n |
| Homo sapiens | MCF7 | EC50 | 360.0 | nM | 10.1021/np070664n |
| Homo sapiens | Panel (12 tumour cell lines) | IC70 | 517.0 | nM | 10.1016/j.bmcl.2006.03.029 |
| None | NON-PROTEIN TARGET | EC50 | 50.0 | nM | 10.1021/np070664n |
| None | Panel (10 carcinoma cell lines) | Inhibition | 82.0 | % | 10.1016/j.bmcl.2006.03.029 |