Aulacocarpine A
| Internal ID | c0ca99df-b814-48ed-867f-bcfd779a9901 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | methyl (E)-4-[(1R,2S,4aR,6S,8aS)-6-hydroxy-5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl]-2-(oxiran-2-yl)but-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H32O5/c1-19(2)15-7-10-21(12-26-21)16(20(15,3)9-8-17(19)22)6-5-13(14-11-25-14)18(23)24-4/h5,14-17,22H,6-12H2,1-4H3/b13-5+/t14?,15-,16+,17-,20-,21+/m0/s1 |
| InChI Key | DQKIVJKTAXWJRV-LRFKXLDISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H32O5 |
| Molecular Weight | 364.50 g/mol |
| Exact Mass | 364.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 71.60 Ų |
| XlogP | 2.50 |
| CHEMBL518660 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.03% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.10% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.35% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.45% | 95.93% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 90.43% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.61% | 91.19% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 87.58% | 95.00% |
| CHEMBL204 | P00734 | Thrombin | 87.53% | 96.01% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 86.92% | 97.28% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.56% | 98.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.16% | 82.69% |
| CHEMBL5028 | O14672 | ADAM10 | 86.13% | 97.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.98% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.21% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.72% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.66% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.29% | 91.24% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.19% | 99.23% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 83.13% | 97.53% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.11% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.94% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.75% | 90.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.56% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.44% | 89.34% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 81.32% | 97.47% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.05% | 97.25% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.41% | 89.05% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.27% | 97.50% |
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.
| Aframomum aulacocarpos |
| PubChem | 44559687 |
| LOTUS | LTS0078246 |
| wikiData | Q104987000 |