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Pachastrissamine

AlkaPlorer ID: AK027722

Synonym: None

IUPAC Name: (2S,3S,4S)-4-amino-2-tetradecyloxolan-3-ol

Structure

SMILES: CCCCCCCCCCCCCC[C@@H]1OC[C@H](N)[C@@H]1O

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InChI: InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(20)16(19)15-21-17/h16-18,20H,2-15,19H2,1H3/t16-,17-,18-/m0/s1

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InChIKey: FBQCDJRSCUVUFL-BZSNNMDCSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 299.499

TPSA？: 55.48

MolLogP？: 4.164600000000003

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A549 Activity nan None 10.1016/j.bmc.2008.11.026
Homo sapiens A549 IC50 0.01 ug.mL-1 10.1021/np010659y
Homo sapiens A549 IC50 1870.0 nM 10.1016/j.bmcl.2017.12.011
Homo sapiens A549 LD50 0.13 uM 10.1016/j.bmc.2008.11.026
Homo sapiens HT-29 IC50 0.01 ug.mL-1 10.1021/np010659y
Homo sapiens MCF7 IC50 2330.0 nM 10.1016/j.bmcl.2017.12.011
Homo sapiens MCF7 IC50 4840.0 nM 10.1016/j.ejmech.2014.03.022
Homo sapiens MGC-803 IC50 5100.0 nM 10.1016/j.ejmech.2014.03.022
Homo sapiens PC-3 IC50 700.0 nM 10.1016/j.bmcl.2017.12.011
Homo sapiens Protein kinase C alpha Inhibition 32.7 % 10.1016/j.bmc.2011.07.061
Homo sapiens Protein kinase C beta Inhibition 27.9 % 10.1016/j.bmc.2011.07.061
Homo sapiens Protein kinase C beta Inhibition 48.5 % 10.1016/j.bmc.2011.07.061
Homo sapiens Protein kinase C delta Inhibition 69.6 % 10.1016/j.bmc.2011.07.061
Homo sapiens Protein kinase C epsilon Inhibition 37.4 % 10.1016/j.bmc.2011.07.061
Homo sapiens Protein kinase C eta Inhibition 50.0 % 10.1016/j.bmc.2011.07.061
Homo sapiens Protein kinase C eta Inhibition 56.6 % 10.1016/j.bmc.2011.07.061
Homo sapiens Protein kinase C eta Inhibition 98.5 % 10.1016/j.bmc.2011.07.061
Homo sapiens Protein kinase C gamma Inhibition 48.6 % 10.1016/j.bmc.2011.07.061
Homo sapiens Protein kinase C theta Inhibition 39.8 % 10.1016/j.bmc.2011.07.061
Homo sapiens Protein kinase C zeta Inhibition 50.0 % 10.1016/j.bmc.2011.07.061
Homo sapiens Protein kinase C zeta Inhibition 100.2 % 10.1016/j.bmc.2011.07.061
Homo sapiens SK-MEL-28 IC50 0.01 ug.mL-1 10.1021/np010659y
Homo sapiens Sphingosine kinase 1 IC50 4600.0 nM 10.1016/j.ejmech.2021.113164
Homo sapiens Sphingosine kinase 1 Inhibition 50.0 % 10.1016/j.bmc.2011.07.061
Homo sapiens Sphingosine kinase 2 IC50 6600.0 nM 10.1016/j.ejmech.2021.113164
Homo sapiens Sphingosine kinase 2 Inhibition 50.0 % 10.1016/j.bmc.2011.07.061
Mus musculus B16-F10 IC50 500.0 nM 10.1016/j.bmcl.2017.12.011
Mus musculus P388 IC50 0.01 ug.mL-1 10.1021/np010659y
None NON-PROTEIN TARGET IC50 6120.0 nM 10.1016/j.ejmech.2014.03.022

Metabolism Information