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Antillatoxin

AlkaPlorer ID: AK004527

Synonym: None

IUPAC Name: (6S,9S,14R,15R)-7,9,14-trimethyl-13-methylidene-6-propan-2-yl-15-[(2E,4E)-4,6,6-trimethylhepta-2,4-dien-2-yl]-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone

Structure

SMILES: C=C1CC(O)=N[C@@H](C)C(=O)N(C)[C@@H](C(C)C)C(O)=NCC(=O)O[C@@H](/C(C)=C/C(C)=C/C(C)(C)C)[C@@H]1C

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InChI: InChI=1S/C28H45N3O5/c1-16(2)24-26(34)29-15-23(33)36-25(19(5)12-17(3)14-28(8,9)10)20(6)18(4)13-22(32)30-21(7)27(35)31(24)11/h12,14,16,20-21,24-25H,4,13,15H2,1-3,5-11H3,(H,29,34)(H,30,32)/b17-14+,19-12+/t20-,21+,24+,25+/m1/s1

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InChIKey: WNMROEVYEZDXEL-OITYILOZSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Lyngbya majuscula Lyngbya Oscillatoriaceae Oscillatoriales Cyanophyceae Cyanobacteriota None Bacteria

Properties Information

Molecule Weight: 503.6840000000003

TPSA？: 111.79

MolLogP？: 5.217400000000005

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Artemia salina Artemia salina Activity nan None 10.1021/np960085a
Biomphalaria glabrata Biomphalaria glabrata Activity nan None 10.1021/np960085a
Carassius auratus Carassius auratus Activity 0.1 uM 10.1021/np0303409
Carassius auratus Carassius auratus LC50 0.05 ug.mL-1 10.1021/np960085a
Carassius auratus Carassius auratus LC50 100.0 nM 10.1021/np010107f
Carassius auratus Carassius auratus LD50 0.05 ug ml-1 10.1021/jm501981g
Homo sapiens Neurotrophic tyrosine kinase receptor type 2 Activity nan None 10.1021/acs.jnatprod.1c01001
Mus musculus BDNF/NT-3 growth factors receptor Activity nan None 10.1021/acs.jnatprod.1c01001
Mus musculus RAC-alpha serine/threonine-protein kinase Activity nan None 10.1021/acs.jnatprod.1c01001
Mus musculus RAC-alpha serine/threonine-protein kinase FC 3.0 None 10.1021/acs.jnatprod.1c01001
Mus musculus Serine/threonine-protein kinase mTOR Activity nan None 10.1021/acs.jnatprod.1c01001
Mus musculus Serine/threonine-protein kinase mTOR FC 2.0 None 10.1021/acs.jnatprod.1c01001
None ADMET Activity 41.0 nM 10.1021/np0303409
None ADMET Activity 300.0 % 10.1021/np0303409
None ADMET Activity nan None 10.1021/np0303409
None ADMET EC50 42.0 nM 10.1021/np0303409
None ADMET EC50 45.71 nM 10.1021/np0303409
None ADMET LC50 100.0 nM 10.1016/j.ejmech.2020.112473
None ADMET LD50 0.18 uM 10.1021/np0303409
None Unchecked Activity 1.73 uM 10.1021/acs.jnatprod.1c01001
None Unchecked Activity 1.81 uM 10.1021/acs.jnatprod.1c01001
None Unchecked Activity 2.07 uM 10.1021/acs.jnatprod.1c01001
None Unchecked Activity 2.32 uM 10.1021/acs.jnatprod.1c01001
None Unchecked Activity nan None 10.1021/acs.jnatprod.1c01001
None Unchecked EC50 180.0 nM 10.1021/np010107f
None Unchecked EC50 450.0 nM 10.1021/acs.jnatprod.1c01001

Metabolism Information