(1R,2S,6R,9S,12R,14R)-6,9,12-trimethyl-3-propan-2-yl-13-oxatetracyclo[7.6.0.02,6.012,14]pentadec-3-ene-5,7,11-trione
| Internal ID | 3aa7867a-ead9-478b-9374-3b287409556d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1R,2S,6R,9S,12R,14R)-6,9,12-trimethyl-3-propan-2-yl-13-oxatetracyclo[7.6.0.02,6.012,14]pentadec-3-ene-5,7,11-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H26O4/c1-10(2)11-6-13(21)19(4)14(22)8-18(3)9-15(23)20(5)16(24-20)7-12(18)17(11)19/h6,10,12,16-17H,7-9H2,1-5H3/t12-,16-,17-,18+,19+,20+/m1/s1 |
| InChI Key | GGQRYLYJIHSMTA-UDXCRLPVSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H26O4 |
| Molecular Weight | 330.40 g/mol |
| Exact Mass | 330.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 63.70 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (1R,2S,6R,9S,12R,14R)-6,9,12-trimethyl-3-propan-2-yl-13-oxatetracyclo[7.6.0.02,6.012,14]pentadec-3-ene-5,7,11-trione](https://plantaedb.com/storage/docs/compounds/2023/11/a7954610-8574-11ee-98fa-67f3dd7a3188.jpg "2D Structure of (1R,2S,6R,9S,12R,14R)-6,9,12-trimethyl-3-propan-2-yl-13-oxatetracyclo[7.6.0.02,6.012,14]pentadec-3-ene-5,7,11-trione")
| 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 | 96.07% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.62% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.89% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.38% | 94.75% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 92.24% | 92.51% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.03% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.19% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.55% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.36% | 90.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.99% | 82.69% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 87.97% | 85.11% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 86.70% | 85.30% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.93% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.04% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.64% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.81% | 90.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.60% | 97.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.28% | 96.77% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 80.50% | 92.97% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.47% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.40% | 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.
| There are no matching plants. |
| PubChem | 101195769 |
| LOTUS | LTS0071030 |
| wikiData | Q105008284 |