Eilatin
AlkaPlorer ID: AK031561
Synonym: None
IUPAC Name: 3,13,16,26-tetrazaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tetradecaene
Structure
SMILES: C1=CC=C2C(=C1)N=C1C3=NC4=CC=CC=C4C4=CC=NC(=C43)C3=NC=CC2=C31
InChI: InChI=1S/C24H12N4/c1-3-7-17-13(5-1)15-9-11-25-21-19(15)23(27-17)24-20-16(10-12-26-22(20)21)14-6-2-4-8-18(14)28-24/h1-12H
InChIKey: XLONQTAYDCFVPP-UHFFFAOYSA-N
Reference
Eilatin, a novel alkaloid from the marine tunicate
PubChem CID: 149352
CAS: 120154-96-3
LOTUS: LTS0186999
SuperNatural Ⅲ: SN0398574
COCONUT: CNP0160167
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 356.38800000000015
TPSA？: 51.56
MolLogP？: 5.623600000000003
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | DNA topoisomerase II | IC50 | nan | nM | 10.1021/jm00048a017 |
| Homo sapiens | HCT-116 | IC50 | 5300.0 | nM | 10.1021/jm00048a017 |
| Trypanosoma brucei brucei | Trypanosoma brucei brucei | IC50 | 1330.0 | nM | 10.1021/np200687v |
| None | ADMET | IC50 | nan | nM | 10.1021/jm00048a017 |
| None | NON-PROTEIN TARGET | Ratio | nan | None | 10.1021/jm00048a017 |
| None | Unchecked | K | 100.0 | uM | 10.1021/jm00048a017 |