Molecule

UNPD28813

AlkaPlorer ID: AK599171

Synonym: None

IUPAC Name: [3-methoxy-18-methyl-13-(4-methylpent-1-enyl)-11-oxo-12,19,20-trioxatricyclo[13.3.1.15,9]icosan-7-yl] 5-[2-[3-(methoxycarbonylamino)prop-1-enyl]-1,3-oxazol-4-yl]pent-2-enoate

Structure

SMILES: COC(O)=NCC=CC1=NC(CCC=CC(=O)OC2CC3CC(=O)OC(C=CCC(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)

InChIKey: ZZQYLRUTULGFDB-UHFFFAOYSA-N

Reference

Leucascandrolide A, a New Type of Macrolide: The first powerfully bioactive metabolite of calcareous sponges (<i>Leucascandra caveolata</i>, a new genus from the coral sea)

PubChem CID: 73208993

LOTUS: LTS0010799

COCONUT: CNP0266973.1

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？: 148.14000000000004

MolLogP？: 6.483200000000008

Number of H-Donors: 1

Number of H-Acceptors: 11

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi