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Zampanolide

AlkaPlorer ID: AK026769

Synonym: None

IUPAC Name: (2Z,4E)-N-[(S)-[(1S,2E,5S,8E,10Z,14E,17S)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl]-hydroxymethyl]hexa-2,4-dienamide

Structure

SMILES: C=C1C[C@@H]2C/C=C/C(=O)C/C(C)=C\C=C\C(=O)O[C@H]([C@H](O)N=C(O)/C=C\C=C\C)C/C(C)=C/[C@H](C1)O2

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InChI: InChI=1S/C29H37NO6/c1-5-6-7-13-27(32)30-29(34)26-19-22(4)18-25-17-21(3)16-24(35-25)12-9-11-23(31)15-20(2)10-8-14-28(33)36-26/h5-11,13-14,18,24-26,29,34H,3,12,15-17,19H2,1-2,4H3,(H,30,32)/b6-5+,11-9+,13-7-,14-8+,20-10-,22-18+/t24-,25-,26-,29-/m0/s1

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InChIKey: NJZJMJVVSZTAGX-UFYKQBJPSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Cacospongia mycofijiensis Cacospongia Thorectidae Dictyoceratida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 495.6160000000002

TPSA？: 105.42000000000002

MolLogP？: 5.167200000000005

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 1A9 Activity 4.3 % 10.1021/jm901249g
Homo sapiens 1A9 Activity 9.6 % 10.1021/jm901249g
Homo sapiens 1A9 Activity 21.6 % 10.1021/jm901249g
Homo sapiens 1A9 Activity 28.6 % 10.1021/jm901249g
Homo sapiens 1A9 Activity 51.4 % 10.1021/jm901249g
Homo sapiens 1A9 Activity 55.0 % 10.1021/jm901249g
Homo sapiens 1A9 Activity 57.3 % 10.1021/jm901249g
Homo sapiens 1A9 Activity 74.3 % 10.1021/jm901249g
Homo sapiens 1A9 IC50 14.3 nM 10.1021/jm901249g
Homo sapiens A2780 IC50 7.1 nM 10.1021/jm901249g
Homo sapiens A2780 Ratio IC50 1.4 None 10.1021/jm901249g
Homo sapiens A549 IC50 0.001 ug.mL-1 10.1016/j.ejmech.2013.05.035
Homo sapiens A549 IC50 0.001 ug.mL-1 10.1016/j.ejmech.2019.03.025
Homo sapiens A549 IC50 0.001 ug.mL-1 10.1021/acs.jnatprod.7b00964
Homo sapiens HL-60 Activity 18.0 % 10.1021/acs.jnatprod.8b00641
Homo sapiens HL-60 Activity 23.0 nanometer 10.1021/jm901249g
Homo sapiens HL-60 Activity 24.5 nanometer 10.1021/jm901249g
Homo sapiens HL-60 Activity 28.0 % 10.1021/acs.jnatprod.8b00641
Homo sapiens HL-60 Activity 28.7 micrometer 10.1021/jm901249g
Homo sapiens HL-60 Activity 54.0 % 10.1021/acs.jnatprod.8b00641
Homo sapiens HL-60 Activity nan None 10.1021/jm901249g
Homo sapiens HL-60 IC50 3.2 nM 10.1021/acs.jnatprod.8b00641
Homo sapiens HL-60 IC50 4.3 nM 10.1021/jm901249g
Homo sapiens HT-29 IC50 0.001 ug.mL-1 10.1016/j.ejmech.2013.05.035
Homo sapiens HT-29 IC50 0.001 ug.mL-1 10.1016/j.ejmech.2019.03.025
Homo sapiens HT-29 IC50 0.001 ug.mL-1 10.1021/acs.jnatprod.7b00964
Homo sapiens SKM-1 IC50 1.1 nM 10.1016/j.ejmech.2017.11.062
Homo sapiens SKM-1 IC50 1.1 nM 10.1016/j.ejmech.2019.03.025
Homo sapiens Tubulin Activity nan None 10.1021/jm901249g
Homo sapiens Tubulin GI50 2.1 nM 10.1039/C9MD00164F
Homo sapiens Tubulin GI50 3.2 nM 10.1039/C9MD00164F
Homo sapiens Tubulin GI50 5.2 nM 10.1039/C9MD00164F
Homo sapiens U-937 IC50 1.1 nM 10.1016/j.ejmech.2017.11.062
Homo sapiens U-937 IC50 2.9 nM 10.1016/j.ejmech.2019.03.025
Mus musculus P388 IC50 0.001 ug.mL-1 10.1016/j.ejmech.2013.05.035
Mus musculus P388 IC50 0.001 ug.mL-1 10.1016/j.ejmech.2019.03.025
Mus musculus P388 IC50 0.001 ug.mL-1 10.1021/acs.jnatprod.7b00964
None NON-PROTEIN TARGET IC50 0.001 ug.mL-1 10.1016/j.ejmech.2013.05.035
None NON-PROTEIN TARGET IC50 7.5 nM 10.1021/jm901249g
None Unchecked Activity nan None 10.1021/acs.jnatprod.7b00704
None Unchecked Activity nan None 10.1021/acs.jnatprod.8b00641
None Unchecked Activity nan None 10.1021/jm901249g
None Unchecked IC50 0.001 ug.mL-1 10.1016/j.ejmech.2019.03.025
None Unchecked IC50 0.001 ug.mL-1 10.1021/acs.jnatprod.7b00964
None Unchecked Kb 3.1 10^6/M 10.1021/acs.jnatprod.7b00704
None Unchecked Ratio 0.04 None 10.1021/acs.jnatprod.7b00704
None Unchecked Ratio 0.84 None 10.1021/acs.jnatprod.7b00704
None Unchecked Ratio 0.91 None 10.1021/acs.jnatprod.7b00704
None Unchecked Ratio 0.92 None 10.1021/acs.jnatprod.7b00704
None Unchecked S20,w 6.0 Svedberg 10.1021/acs.jnatprod.7b00704
None Unchecked S20,w 8.0 Svedberg 10.1021/acs.jnatprod.7b00704
None Unchecked S20,w 9.0 Svedberg 10.1021/acs.jnatprod.7b00704
None Unchecked S20,w 36.0 Svedberg 10.1021/acs.jnatprod.7b00704
None Unchecked S20,w 50.0 Svedberg 10.1021/acs.jnatprod.7b00704

Metabolism Information