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Hermitamide A

AlkaPlorer ID: AK026925

Synonym: None

IUPAC Name: (E,7S)-7-methoxy-N-(2-phenylethyl)tetradec-4-enamide

Structure

SMILES: CCCCCCC[C@@H](C/C=C/CCC(=O)NCCC1=CC=CC=C1)OC

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InChI: InChI=1S/C23H37NO2/c1-3-4-5-6-11-16-22(26-2)17-12-8-13-18-23(25)24-20-19-21-14-9-7-10-15-21/h7-10,12,14-15,22H,3-6,11,13,16-20H2,1-2H3,(H,24,25)/b12-8+/t22-/m0/s1

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InChIKey: VPNLGLXHRKAYHD-UBQCRTFRSA-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: 359.55400000000003

TPSA？: 38.33

MolLogP？: 5.447300000000006

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Artemia salina Artemia salina LD50 5.0 uM 10.1021/np000037x
Biomphalaria glabrata Biomphalaria glabrata Activity nan None 10.1021/np000037x
Carassius auratus Carassius auratus LD50 19.0 uM 10.1021/np000037x
Homo sapiens HeLa IC50 100000.0 nM 10.1007/s00044-013-0466-y
Homo sapiens HOP-62 IC50 100000.0 nM 10.1007/s00044-013-0466-y
Homo sapiens IMR-32 IC50 100000.0 nM 10.1007/s00044-013-0466-y
Homo sapiens PC-3 IC50 100000.0 nM 10.1007/s00044-013-0466-y
Homo sapiens SF-295 IC50 100000.0 nM 10.1007/s00044-013-0466-y
Homo sapiens SK-N-SH IC50 100000.0 nM 10.1007/s00044-013-0466-y
Homo sapiens Sodium channel protein type II alpha subunit Inhibition 15.5 % 10.1016/j.bmc.2011.05.043
Homo sapiens Sodium channel protein type II alpha subunit Inhibition 74.4 % 10.1016/j.bmc.2011.05.043
Homo sapiens Sodium channel protein type II alpha subunit Inhibition 94.4 % 10.1016/j.bmc.2011.05.043
Homo sapiens SW-620 IC50 100000.0 nM 10.1007/s00044-013-0466-y
None ADMET IC50 2200.0 nM 10.1021/np000037x
None NON-PROTEIN TARGET IC50 100000.0 nM 10.1007/s00044-013-0466-y
None Unchecked Activity 15.89 % 10.1016/j.bmc.2011.05.043

Metabolism Information