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Tubulosine

AlkaPlorer ID: AK016790

Synonym: None

IUPAC Name: (1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol

Structure

SMILES: CC[C@H]1CN2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1NCCC2=C1NC1=CC=C(O)C=C21

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InChI: InChI=1S/C29H37N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-6,13-15,17,19,25-26,30-31,33H,4,7-12,16H2,1-3H3/t17-,19-,25+,26-/m0/s1

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InChIKey: JRVWIILYWSBUMC-PRUVNFMMSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Mentha aquatica Mentha Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Osteospermum jucundum Osteospermum Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Alangium villosum Alangium Cornaceae Cornales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Helichrysum heterolasium Helichrysum Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Clonostachys rosea Clonostachys Bionectriaceae Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota
Amauroascus aureus Amauroascus Onygenaceae Onygenales Eurotiomycetes Ascomycota Fungi Eukaryota
Carapichea ipecacuanha Carapichea Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Gloriosa superba Gloriosa Colchicaceae Liliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hirsutella nivea Hirsutella Ophiocordycipitaceae Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota
Ascochyta caulina Ascochyta Didymellaceae Pleosporales Dothideomycetes Ascomycota Fungi Eukaryota
Tragopogon porrifolius Tragopogon Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Coryphantha elephantidens Coryphantha Cactaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Streptomyces avidinii Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria
Pogonopus speciosus Pogonopus Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Acodontaster conspicuus Acodontaster Odontasteridae Valvatida Asteroidea Echinodermata Metazoa Eukaryota
Alangium salviifolium Alangium Cornaceae Cornales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Helichrysum revolutum Helichrysum Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 475.63300000000027

TPSA？: 69.75

MolLogP？: 5.1131000000000055

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii Inhibition -12.49 % 10.6019/CHEMBL4296183
Agrobacterium tumefaciens Agrobacterium tumefaciens Inhibition 81.0 % 10.1021/np50070a041
Artemia Artemia LC50 0.02 ppm 10.1021/np50070a041
Candida albicans Candida albicans Inhibition 2.67 % 10.6019/CHEMBL4296183
Cryptococcus neoformans Cryptococcus neoformans Inhibition -8.19 % 10.6019/CHEMBL4296183
Entamoeba histolytica Entamoeba histolytica IC50 1.6 ug.mL-1 10.1007/s00044-011-9767-1
Escherichia coli Escherichia coli Inhibition 3.63 % 10.6019/CHEMBL4296183
Homo sapiens 786-0 GI50 10.0 nM None
Homo sapiens A498 GI50 30.06 nM None
Homo sapiens A549 ED50 1.0 10'-5 ug/ml 10.1021/np50070a041
Homo sapiens A549 GI50 10.0 nM None
Homo sapiens A549 IC50 2100.0 nM 10.1021/acs.jnatprod.9b00670
Homo sapiens ACHN GI50 39.63 nM None
Homo sapiens BT-549 GI50 191.43 nM None
Homo sapiens CAKI-1 GI50 56.89 nM None
Homo sapiens CCRF-CEM GI50 10.0 nM None
Homo sapiens Col2 ED50 0.05 ug ml-1 10.1021/np990255u
Homo sapiens COLO 205 GI50 10.0 nM None
Homo sapiens DLD-1 GI50 27.86 nM None
Homo sapiens DMS-114 GI50 10.0 nM None
Homo sapiens DMS-273 GI50 10.0 nM None
Homo sapiens DU-145 GI50 10.0 nM None
Homo sapiens EKVX GI50 29.38 nM None
Homo sapiens HCC 2998 GI50 10.5 nM None
Homo sapiens HCT-116 GI50 10.21 nM None
Homo sapiens HCT-15 GI50 383.71 nM None
Homo sapiens HeLa IC50 10000.0 nM 10.1021/acs.jnatprod.9b00670
Homo sapiens HL-60 GI50 10.0 nM None
Homo sapiens HOP-18 GI50 45.39 nM None
Homo sapiens HOP-62 GI50 10.0 nM None
Homo sapiens HOP-92 GI50 10.5 nM None
Homo sapiens Hs-578T GI50 16.9 nM None
Homo sapiens HT-29 ED50 1.0 10'-5 ug/ml 10.1021/np50070a041
Homo sapiens HT-29 GI50 10.0 nM None
Homo sapiens IGROV-1 GI50 15.7 nM None
Homo sapiens Janus Kinase (JAK) Inhibition 25.0 % 10.1038/nchembio.2007.59
Homo sapiens Janus Kinase (JAK) Inhibition 65.0 % 10.1038/nchembio.2007.59
Homo sapiens K562 GI50 12.97 nM None
Homo sapiens KB ED50 0.1 ug ml-1 10.1021/np990255u
Homo sapiens KB ED50 0.16 ug ml-1 10.1021/np990255u
Homo sapiens KM12 GI50 24.55 nM None
Homo sapiens KM-20L2 GI50 15.31 nM None
Homo sapiens LNCaP ED50 0.16 ug ml-1 10.1021/np990255u
Homo sapiens LOX IMVI GI50 10.0 nM None
Homo sapiens Lu1 ED50 0.001 ug ml-1 10.1021/np990255u
Homo sapiens LXFL 529 GI50 20.23 nM None
Homo sapiens M14 GI50 12.47 nM None
Homo sapiens M19-MEL GI50 10.0 nM None
Homo sapiens Malme-3M GI50 42.07 nM None
Homo sapiens MAP kinase p38 Inhibition 25.0 % 10.1038/nchembio.2007.59
Homo sapiens MCF7 ED50 1.0 10'-5 ug/ml 10.1021/np50070a041
Homo sapiens MCF7 GI50 10.0 nM None
Homo sapiens MDA-MB-231 GI50 10.0 nM None
Homo sapiens MDA-MB-435 GI50 12.5 nM None
Homo sapiens MDA-N GI50 10.0 nM None
Homo sapiens MOLT-4 GI50 10.0 nM None
Homo sapiens NCI/ADR-RES GI50 1733.8 nM None
Homo sapiens NCI-H226 GI50 11.32 nM None
Homo sapiens NCI-H23 GI50 11.35 nM None
Homo sapiens NCI-H322M GI50 12.39 nM None
Homo sapiens NCI-H460 GI50 10.19 nM None
Homo sapiens NCI-H522 GI50 10.0 nM None
Homo sapiens OVCAR-3 GI50 27.61 nM None
Homo sapiens OVCAR-4 GI50 10.0 nM None
Homo sapiens OVCAR-5 GI50 15.35 nM None
Homo sapiens OVCAR-8 GI50 12.53 nM None
Homo sapiens PC-3 GI50 15.56 nM None
Homo sapiens RPMI-8226 GI50 13.27 nM None
Homo sapiens RXF 393 GI50 16.0 nM None
Homo sapiens RXF 631 GI50 38.73 nM None
Homo sapiens SF-268 GI50 10.47 nM None
Homo sapiens SF-295 GI50 19.5 nM None
Homo sapiens SF-539 GI50 16.44 nM None
Homo sapiens SK-MEL-2 GI50 13.68 nM None
Homo sapiens SK-MEL-28 GI50 21.13 nM None
Homo sapiens SK-MEL-5 GI50 13.46 nM None
Homo sapiens SK-N-SH ED50 0.1 ug ml-1 10.1021/np990255u
Homo sapiens SK-OV-3 GI50 22.23 nM None
Homo sapiens SK-OV-3 IC50 400.0 nM 10.1021/acs.jnatprod.9b00670
Homo sapiens SN12C GI50 10.0 nM None
Homo sapiens SN12K1 GI50 10.0 nM None
Homo sapiens SNB-19 GI50 10.0 nM None
Homo sapiens SNB-75 GI50 10.0 nM None
Homo sapiens SNB-78 GI50 13.61 nM None
Homo sapiens SR GI50 215.28 nM None
Homo sapiens SW-620 GI50 11.89 nM None
Homo sapiens SW626 ED50 0.22 ug ml-1 10.1021/np990255u
Homo sapiens T47D GI50 10.64 nM None
Homo sapiens TK-10 GI50 38.82 nM None
Homo sapiens U-251 GI50 10.3 nM None
Homo sapiens UACC-257 GI50 58.21 nM None
Homo sapiens UACC-62 GI50 18.2 nM None
Homo sapiens UO-31 GI50 325.84 nM None
Homo sapiens XF498 GI50 18.79 nM None
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase IC50 200.0 ug.mL-1 10.1021/np50073a012
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition -0.53 % 10.6019/CHEMBL4296183
Mus musculus L1210 Activity 30.0 % 10.1021/np990255u
Mus musculus M109 ED50 0.1 ug ml-1 10.1021/np990255u
Mus musculus P388 Activity 80.0 % 10.1021/np990255u
Mus musculus P388 GI50 10.0 nM None
Mus musculus P388/ADR GI50 493.17 nM None
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition 10.54 % 10.6019/CHEMBL4296183
Staphylococcus aureus Staphylococcus aureus Inhibition 2.68 % 10.6019/CHEMBL4296183
None NON-PROTEIN TARGET ED50 0.1 ug ml-1 10.1021/np990255u
None NON-PROTEIN TARGET ED50 1.0 10'-2 ug/ml 10.1021/np50070a041
None NON-PROTEIN TARGET ED50 3.8 10'-4 ug/ml 10.1021/np50070a041
None Unchecked T/C 186.0 % 10.1021/np50070a041

Metabolism Information