Scytonemin
AlkaPlorer ID: AK318322
Synonym: None
IUPAC Name: (3E)-3-[(4-hydroxyphenyl)methylidene]-1-[(3E)-3-[(4-hydroxyphenyl)methylidene]-2-oxocyclopenta[b]indol-1-yl]cyclopenta[b]indol-2-one
Structure
SMILES: O=C1C(C2=C3C(=NC4=CC=CC=C34)/C(=C\C3=CC=C(O)C=C3)C2=O)=C2C(=NC3=CC=CC=C23)/C1=C\C1=CC=C(O)C=C1
InChI: InChI=1S/C36H20N2O4/c39-21-13-9-19(10-14-21)17-25-33-29(23-5-1-3-7-27(23)37-33)31(35(25)41)32-30-24-6-2-4-8-28(24)38-34(30)26(36(32)42)18-20-11-15-22(40)16-12-20/h1-18,39-40H/b25-17+,26-18+
InChIKey: CGZKSPLDUIRCIO-RPCRKUJJSA-N
Reference
PubChem CID: 135473381
LOTUS: LTS0213836
SuperNatural Ⅲ: SN0045515-03
NPASS: NPC103250
{NPAtlas: NPA016943
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Scytonema sp. | Scytonema | Scytonemataceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
| None | Lyngbya | Oscillatoriaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
| None | Cyanobacterium | Geminocystaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 544.5660000000003
TPSA？: 99.32
MolLogP？: 6.810000000000007
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Serine/threonine-protein kinase PLK1 | IC50 | 2000.0 | nM | 10.1016/j.bmcl.2008.08.033 |