Leucascandrolide A
AlkaPlorer ID: AK304205
Synonym: None
IUPAC Name: [3-methoxy-18-methyl-13-[(E)-4-methylpent-1-enyl]-11-oxo-12,19,20-trioxatricyclo[13.3.1.15,9]icosan-7-yl] (E)-5-[2-[(E)-3-(methoxycarbonylamino)prop-1-enyl]-1,3-oxazol-4-yl]pent-2-enoate
Structure
SMILES: COC(=O)NC/C=C/C1=NC(CC/C=C/C(=O)OC2CC3CC(=O)OC(/C=C/CC(C)C)CC4CCC(C)C(CC(OC)CC(C2)O3)O4)=CO1
InChI: InChI=1S/C38H56N2O10/c1-25(2)10-8-12-28-18-29-16-15-26(3)34(48-29)22-30(44-4)19-31-20-32(21-33(47-31)23-37(42)49-28)50-36(41)14-7-6-11-27-24-46-35(40-27)13-9-17-39-38(43)45-5/h7-9,12-14,24-26,28-34H,6,10-11,15-23H2,1-5H3,(H,39,43)/b12-8+,13-9+,14-7+
InChIKey: ZZQYLRUTULGFDB-UIIKYQQXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Leucascandra caveolata | Leucascandra | Jenkinidae | Leucosolenida | Calcarea | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 700.8700000000002
TPSA？: 144.65000000000003
MolLogP？: 6.278800000000008
Number of H-Donors: 1
Number of H-Acceptors: 11
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|