Ianthellamide A

AlkaPlorer ID: AK302244

Synonym: None

IUPAC Name: [4-[1-(3-acetamidopropoxy)-2-aminoethyl]-2,6-dibromophenyl] hydrogen sulfate

Structure

SMILES: CC(=O)NCCCOC(CN)C1=CC(Br)=C(OS(=O)(=O)O)C(Br)=C1

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InChI: InChI=1S/C13H18Br2N2O6S/c1-8(18)17-3-2-4-22-12(7-16)9-5-10(14)13(11(15)6-9)23-24(19,20)21/h5-6,12H,2-4,7,16H2,1H3,(H,17,18)(H,19,20,21)

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InChIKey: LUKTVGRPGJKVIG-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Ianthella quadrangulata Ianthella Ianthellidae Verongiida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 490.1700000000001

TPSA: 127.95

MolLogP: 1.9358

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information