Eleutherobin Aglycon
AlkaPlorer ID: AK006860
Synonym: None
IUPAC Name: [(1S,2S,4R,8R,9S,12R)-11-(hydroxymethyl)-12-methoxy-1,5-dimethyl-8-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-5,10,13-trien-2-yl] (E)-3-(1-methylimidazol-4-yl)prop-2-enoate
Structure
SMILES: CO[C@]12C=C[C@](C)(O1)[C@@H](OC(=O)/C=C/C1=CN(C)C=N1)C[C@H]1C(C)=CC[C@H](C(C)C)[C@H]1/C=C\2CO
InChI: InChI=1S/C28H38N2O5/c1-18(2)22-9-7-19(3)23-14-25(34-26(32)10-8-21-15-30(5)17-29-21)27(4)11-12-28(33-6,35-27)20(16-31)13-24(22)23/h7-8,10-13,15,17-18,22-25,31H,9,14,16H2,1-6H3/b10-8+,20-13-/t22-,23+,24-,25+,27+,28-/m1/s1
InChIKey: KRKBJGWABZAQHV-MMFKBRBESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erythropodium caribaeorum | Erythropodium | Alcyoniidae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 482.62100000000027
TPSA？: 82.81
MolLogP？: 4.209900000000005
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | IC50 | 0.09 | ug.mL-1 | 10.1021/np0205452 |