Molecule

Lagunamide D

AlkaPlorer ID: AK326718

Synonym: None

IUPAC Name: (3S,6S,12R,15S,18R,21E,24S,25S,26R)-12-benzyl-6,18-bis[(2S)-butan-2-yl]-24-hydroxy-3,4,10,13,15,21,25-heptamethyl-26-propyl-1,19-dioxa-4,7,10,13,16-pentazacyclohexacos-21-ene-2,5,8,11,14,17,20-heptone

Structure

SMILES: CCC[C@H]1OC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)CC)N=C(O)CN(C)C(=O)[C@@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](C)N=C(O)[C@@H]([C@@H](C)CC)OC(=O)/C(C)=C/C[C@H](O)[C@@H]1C

InChI: InChI=1S/C44H69N5O10/c1-13-19-35-29(7)34(50)23-22-28(6)43(56)59-38(27(5)15-3)39(52)45-30(8)40(53)49(12)33(24-32-20-17-16-18-21-32)41(54)47(10)25-36(51)46-37(26(4)14-2)42(55)48(11)31(9)44(57)58-35/h16-18,20-22,26-27,29-31,33-35,37-38,50H,13-15,19,23-25H2,1-12H3,(H,45,52)(H,46,51)/b28-22+/t26-,27-,29-,30-,31-,33+,34-,35+,37-,38+/m0/s1

InChIKey: RORCVIYTNLLWHF-FVDDJKPFSA-N

Reference

Isolation, Structure Elucidation and Biological Evaluation of Lagunamide D: A New Cytotoxic Macrocyclic Depsipeptide from Marine Cyanobacteria

PubChem CID: 146682892

LOTUS: LTS0269940

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NPAtlas: NPA026453

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Dichothrix	Rivulariaceae	Nostocales	Cyanophyceae	Cyanobacteriota	None	Bacteria

Properties Information

Molecule Weight: 828.061

TPSA？: 198.94

MolLogP？: 5.094400000000007

Number of H-Donors: 3

Number of H-Acceptors: 10

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi