(1S,1'S,2S,2'S,5R,5'S,6S,6'S,9'S,10R,12R,12'R,14S)-2'-hydroxy-2',6',11',14-tetramethyl-9-methylidenespiro[3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecane-5,14'-8-oxatetracyclo[10.2.1.01,10.05,9]pentadec-10-ene]-4,7'-dione
| Internal ID | 02bf933f-5e78-4faf-8dba-b898b989b680 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids |
| IUPAC Name | (1S,1'S,2S,2'S,5R,5'S,6S,6'S,9'S,10R,12R,12'R,14S)-2'-hydroxy-2',6',11',14-tetramethyl-9-methylidenespiro[3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecane-5,14'-8-oxatetracyclo[10.2.1.01,10.05,9]pentadec-10-ene]-4,7'-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H38O6/c1-13-6-7-19-24(22-18(13)10-20-28(22,5)36-20)35-26(32)29(19)11-16-12-30(29)21(14(16)2)23-17(8-9-27(30,4)33)15(3)25(31)34-23/h15-20,22-24,33H,1,6-12H2,2-5H3/t15-,16-,17-,18-,19+,20+,22-,23-,24-,27-,28+,29-,30+/m0/s1 |
| InChI Key | QGRCUWMDPQZUNT-YBEUKMRASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H38O6 |
| Molecular Weight | 494.60 g/mol |
| Exact Mass | 494.26683893 g/mol |
| Topological Polar Surface Area (TPSA) | 85.40 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of (1S,1'S,2S,2'S,5R,5'S,6S,6'S,9'S,10R,12R,12'R,14S)-2'-hydroxy-2',6',11',14-tetramethyl-9-methylidenespiro[3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecane-5,14'-8-oxatetracyclo[10.2.1.01,10.05,9]pentadec-10-ene]-4,7'-dione](https://plantaedb.com/storage/docs/compounds/2023/11/f4619aa0-875e-11ee-9829-ad0f6b0d0da3.jpg "2D Structure of (1S,1'S,2S,2'S,5R,5'S,6S,6'S,9'S,10R,12R,12'R,14S)-2'-hydroxy-2',6',11',14-tetramethyl-9-methylidenespiro[3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecane-5,14'-8-oxatetracyclo[10.2.1.01,10.05,9]pentadec-10-ene]-4,7'-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.36% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.89% | 85.14% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 94.76% | 95.38% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.69% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.15% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.81% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.02% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.72% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.37% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.38% | 96.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.07% | 96.43% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.69% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.32% | 89.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.52% | 96.47% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.83% | 99.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.14% | 97.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.43% | 86.33% |
| CHEMBL2803 | P43403 | Tyrosine-protein kinase ZAP-70 | 82.41% | 82.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.89% | 98.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.73% | 93.03% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.52% | 93.40% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.52% | 94.75% |
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.
| Artemisia siversiana |
| PubChem | 163027363 |
| LOTUS | LTS0176263 |
| wikiData | Q105220570 |