Kaur-16-en-15-one, 1-(acetyloxy)-7,20-epoxy-6,7,14-trihydroxy-, (1alpha,6beta,7alpha,14R)-
| Internal ID | 9f6016ce-f17b-41de-af75-11f2a4678c09 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | [(1S,2S,5S,8R,9S,10S,11R,15S,18R)-9,10,18-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1CCC(C2C13COC(C2O)(C45C3CCC(C4O)C(=C)C5=O)O)(C)C |
| SMILES (Isomeric) | CC(=O)O[C@H]1CCC([C@@H]2[C@@]13CO[C@]([C@H]2O)([C@]45[C@H]3CC[C@H]([C@H]4O)C(=C)C5=O)O)(C)C |
| InChI | InChI=1S/C22H30O7/c1-10-12-5-6-13-20-9-28-22(27,21(13,16(10)24)17(12)25)18(26)15(20)19(3,4)8-7-14(20)29-11(2)23/h12-15,17-18,25-27H,1,5-9H2,2-4H3/t12-,13-,14-,15+,17+,18-,20+,21-,22+/m0/s1 |
| InChI Key | DJQLJZNVICMJRV-NGPIVHDLSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C22H30O7 |
| Molecular Weight | 406.50 g/mol |
| Exact Mass | 406.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 0.70 |
| 28957-08-6 |
| Kaur-16-en-15-one, 1-(acetyloxy)-7,20-epoxy-6,7,14-trihydroxy-, (1alpha,6beta,7alpha,14R)- |
| Lasiodin |
| SCHEMBL19902159 |
| AKOS040760514 |
| HY-123467 |
| CS-0082701 |
| [(1S,2S,5S,8R,9S,10S,11R,15S,18R)-9,10,18-Trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl] acetate |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.46% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.26% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.99% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.85% | 97.25% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.11% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.32% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.93% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.90% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.39% | 98.95% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 87.23% | 97.28% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.04% | 92.94% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.23% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.07% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.96% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.53% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.17% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.81% | 95.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.60% | 92.50% |
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.
| Isodon adenolomus |
| Isodon excisoides |
| Isodon japonicus |
| Isodon rubescens |
| Isodon rugosus |
| Isodon serra |
| Isodon trichocarpus |
| PubChem | 12305580 |
| LOTUS | LTS0162934 |
| wikiData | Q104888920 |