[(1R,2R,4S,9R,11R,14R,15R,18S,20R)-1,2,8,8,15,19,19-heptamethyl-5-methylidene-18-pentacyclo[12.8.0.02,11.04,9.015,20]docosanyl] acetate
| Internal ID | 4a6c46a7-3ead-41ef-8a03-5f71890a9a60 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | [(1R,2R,4S,9R,11R,14R,15R,18S,20R)-1,2,8,8,15,19,19-heptamethyl-5-methylidene-18-pentacyclo[12.8.0.02,11.04,9.015,20]docosanyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H52O2/c1-20-12-15-28(3,4)24-18-22-10-11-26-30(7)16-14-27(34-21(2)33)29(5,6)25(30)13-17-31(26,8)32(22,9)19-23(20)24/h22-27H,1,10-19H2,2-9H3/t22-,23-,24-,25+,26-,27+,30+,31-,32-/m1/s1 |
| InChI Key | JGXPMSPITBIBHM-ACOAYAOSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H52O2 |
| Molecular Weight | 468.80 g/mol |
| Exact Mass | 468.396730897 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 9.70 |
| There are no found synonyms. |
![2D Structure of [(1R,2R,4S,9R,11R,14R,15R,18S,20R)-1,2,8,8,15,19,19-heptamethyl-5-methylidene-18-pentacyclo[12.8.0.02,11.04,9.015,20]docosanyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/cb36aba0-86ca-11ee-9643-a37d527729d0.jpg "2D Structure of [(1R,2R,4S,9R,11R,14R,15R,18S,20R)-1,2,8,8,15,19,19-heptamethyl-5-methylidene-18-pentacyclo[12.8.0.02,11.04,9.015,20]docosanyl] 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.45% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 94.21% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.50% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.66% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.39% | 91.19% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.36% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.30% | 97.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.92% | 95.50% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 85.58% | 89.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.77% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.43% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.18% | 95.56% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.31% | 95.38% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 81.07% | 94.97% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.78% | 92.62% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.37% | 93.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.29% | 97.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.27% | 94.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.24% | 100.00% |
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.
| Ixeris chinensis |
| PubChem | 11754409 |
| LOTUS | LTS0198773 |
| wikiData | Q105127771 |