Lanceotoxin A
Internal ID | 79c54f26-1ca6-49f1-a84d-30c4c74af7c4 |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones > Bufanolides and derivatives |
IUPAC Name | [(3S,5S,8R,9S,10S,13R,14S,17R)-5-acetyloxy-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanoate |
SMILES (Canonical) | CC(C(C(C(C(=O)OC1CCC2(C3CCC4(C(CCC4(C3CCC2(C1)OC(=O)C)O)C5=COC(=O)C=C5)C)C=O)O)O)O)O |
SMILES (Isomeric) | C[C@@H]([C@@H]([C@H]([C@H](C(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@]4([C@@H]3CC[C@@]2(C1)OC(=O)C)O)C5=COC(=O)C=C5)C)C=O)O)O)O)O |
InChI | InChI=1S/C32H44O12/c1-17(34)25(37)26(38)27(39)28(40)43-20-6-11-30(16-33)22-7-10-29(3)21(19-4-5-24(36)42-15-19)9-13-32(29,41)23(22)8-12-31(30,14-20)44-18(2)35/h4-5,15-17,20-23,25-27,34,37-39,41H,6-14H2,1-3H3/t17-,20-,21+,22-,23+,25-,26+,27+,29+,30-,31-,32-/m0/s1 |
InChI Key | IDZGCABQJKWSHL-GSMIIGJLSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C32H44O12 |
Molecular Weight | 620.70 g/mol |
Exact Mass | 620.28327683 g/mol |
Topological Polar Surface Area (TPSA) | 197.00 Ų |
XlogP | 0.20 |
93771-82-5 |
C08872 |
[(3S,5S,8R,9S,10S,13R,14S,17R)-5-acetyloxy-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanoate |
AC1L9BST |
CHEBI:6371 |
DTXSID801118779 |
AKOS040746989 |
Q27107175 |
[(3S,5S,8R,9S,10S,13R,14S,17R)-5-acetoxy-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanoate |
Bufa-20,22-dienolide, 5-(acetyloxy)-3-[(6-deoxy-L-mannonoyl)oxy]-14-hydroxy-19-oxo-, (3beta,5beta)- |

Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
No proven targets yet! |
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.75% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.11% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.26% | 91.11% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.61% | 97.25% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.65% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.64% | 95.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.00% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 89.99% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.24% | 86.33% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.16% | 100.00% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.10% | 82.69% |
CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 87.55% | 89.67% |
CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 87.39% | 89.44% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.02% | 95.89% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.87% | 92.62% |
CHEMBL3524 | P56524 | Histone deacetylase 4 | 85.38% | 92.97% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.29% | 85.14% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.76% | 99.23% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.96% | 90.00% |
CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.98% | 92.88% |
CHEMBL5028 | O14672 | ADAM10 | 82.47% | 97.50% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.44% | 97.28% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.15% | 95.71% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.47% | 94.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
Kalanchoe lanceolata |
PubChem | 441863 |
LOTUS | LTS0053140 |
wikiData | Q27107175 |