Elasine
Internal ID | 7e5ab72d-7c8b-4374-b87f-1751e0b89a63 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
IUPAC Name | [(1R,2S,3S,4S,5R,6S,8R,12S,16R,19S,20R,21S)-14-ethyl-2,6-dihydroxy-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-yl] acetate |
SMILES (Canonical) | CCN1CC2(CCC(C34C2C(C5(C31)C6(CC(C7CC4(C6C7OC)O)O)OCO5)OC(=O)C)OC)C |
SMILES (Isomeric) | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]5(C31)[C@]6(C[C@@H]([C@H]7C[C@@]4([C@@H]6[C@H]7OC)O)O)OCO5)OC(=O)C)OC)C |
InChI | InChI=1S/C26H39NO8/c1-6-27-11-22(3)8-7-16(31-4)25-19(22)20(35-13(2)28)26(21(25)27)24(33-12-34-26)10-15(29)14-9-23(25,30)18(24)17(14)32-5/h14-21,29-30H,6-12H2,1-5H3/t14-,15+,16+,17+,18+,19-,20+,21?,22+,23+,24-,25-,26-/m1/s1 |
InChI Key | FMXCPANAUUDARO-BYXPRBKVSA-N |
Popularity | 0 references in papers |
Molecular Formula | C26H39NO8 |
Molecular Weight | 493.60 g/mol |
Exact Mass | 493.26756720 g/mol |
Topological Polar Surface Area (TPSA) | 107.00 Ų |
XlogP | 0.00 |
FMXCPANAUUDARO-BYXPRBKVSA- |
InChI=1/C26H39NO8/c1-6-27-11-22(3)8-7-16(31-4)25-19(22)20(35-13(2)28)26(21(25)27)24(33-12-34-26)10-15(29)14-9-23(25,30)18(24)17(14)32-5/h14-21,29-30H,6-12H2,1-5H3/t14-,15+,16+,17+,18+,19-,20+,21+,22+,23+,24-,25-,26-/m1/s1 |

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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.33% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.48% | 97.25% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.53% | 94.45% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.93% | 85.14% |
CHEMBL204 | P00734 | Thrombin | 94.53% | 96.01% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.42% | 83.82% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.83% | 97.09% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 92.52% | 97.28% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.91% | 91.11% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.93% | 95.17% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.73% | 92.62% |
CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 90.28% | 87.16% |
CHEMBL2581 | P07339 | Cathepsin D | 88.67% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.08% | 89.00% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.77% | 96.77% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 85.90% | 89.05% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.93% | 89.50% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.30% | 97.14% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.72% | 92.50% |
CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 83.68% | 95.36% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.08% | 94.33% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.58% | 95.50% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.50% | 91.24% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.49% | 100.00% |
CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.33% | 82.50% |
CHEMBL1871 | P10275 | Androgen Receptor | 82.30% | 96.43% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.67% | 96.61% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.40% | 91.19% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.98% | 86.33% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.91% | 95.89% |
CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.81% | 90.24% |
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.
Delphinium elatum |
Delphinium retropilosum |
PubChem | 20057242 |
LOTUS | LTS0168600 |
wikiData | Q104998125 |