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name Structure Reference Source Properties Activities Metabolism

17-(propanoyloxy)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹?.0?,?.0¹?,¹?]nonadeca-2,4(8),9,15-tetraen-18-yl propanoate

AlkaPlorer ID: AK060631

Synonym: None

IUPAC Name: [(1S,17S,18S,19S)-18-propanoyloxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-17-yl] propanoate

Structure

SMILES: CCC(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CN3CCC(=C[C@@H]1OC(=O)CC)[C@H]23)OCO4

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InChI: InChI=1S/C22H25NO6/c1-3-18(24)28-17-7-12-5-6-23-10-13-8-15-16(27-11-26-15)9-14(13)20(21(12)23)22(17)29-19(25)4-2/h7-9,17,20-22H,3-6,10-11H2,1-2H3/t17-,20-,21+,22+/m0/s1

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InChIKey: FHZQSULZQZRVBO-GUGJDKNPSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Lycoris traubii Lycoris Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 399.44300000000015

TPSA？: 74.3

MolLogP？: 2.6704000000000008

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A549 GI50 4000.0 nM 10.1016/j.bmc.2011.09.051
Homo sapiens MCF7 GI50 22000.0 nM 10.1016/j.bmc.2011.09.051
Homo sapiens MRC5 IC50 23.8 ug.mL-1 10.1016/j.bmc.2008.10.061
Homo sapiens PC-3 GI50 41000.0 nM 10.1016/j.bmc.2011.09.051
Homo sapiens SK-MEL-28 GI50 43000.0 nM 10.1016/j.bmc.2011.09.051
Homo sapiens T98G GI50 600.0 nM 10.1016/j.bmc.2011.09.051
Mus musculus B16-F10 GI50 29000.0 nM 10.1016/j.bmc.2011.09.051
Plasmodium falciparum Plasmodium falciparum IC50 4.2 ug.mL-1 10.1016/j.bmc.2008.10.061
Plasmodium falciparum Plasmodium falciparum IC50 2700.0 nM 10.1016/j.bmc.2010.05.023
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.bmc.2008.10.061
None NON-PROTEIN TARGET GI50 3000.0 nM 10.1016/j.bmc.2011.09.051
None NON-PROTEIN TARGET GI50 8000.0 nM 10.1016/j.bmc.2011.09.051
None Unchecked Ratio IC50 23.8 None 10.1016/j.bmc.2008.10.061

Metabolism Information