[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-6-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
| Internal ID | 4dc348db-fd65-4041-820c-05d4f7292ce8 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | [(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-6-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate |
| SMILES (Canonical) | CC(CCCC(=C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C)C)C |
| SMILES (Isomeric) | C[C@H](CCCC(=C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)C)C)C |
| InChI | InChI=1S/C32H52O2/c1-21(2)10-9-11-22(3)24-14-16-30(8)26-13-12-25-28(5,6)27(34-23(4)33)15-17-31(25)20-32(26,31)19-18-29(24,30)7/h22,24-27H,1,9-20H2,2-8H3/t22-,24-,25+,26+,27+,29-,30+,31-,32+/m1/s1 |
| InChI Key | YIDOUQUPENRJGV-OSWLCJEWSA-N |
| Popularity | 0 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 | 10.70 |
| There are no found synonyms. |
![2D Structure of [(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-6-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/9e33d270-84b6-11ee-96ab-41daf9bab556.jpg "2D Structure of [(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-6-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 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 | 98.19% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.78% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.57% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.50% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.78% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.10% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.72% | 93.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.81% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 88.28% | 98.75% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 88.21% | 95.71% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.64% | 82.69% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.57% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.14% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.25% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.62% | 96.47% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.04% | 90.24% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.86% | 82.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.84% | 97.79% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.70% | 97.29% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.66% | 95.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.36% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.19% | 96.95% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.98% | 94.78% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 81.95% | 97.47% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.89% | 94.33% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.85% | 97.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.76% | 95.89% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.60% | 91.24% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.04% | 94.00% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 80.97% | 96.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.82% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.76% | 92.86% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.68% | 89.50% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.52% | 95.58% |
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.
| Artocarpus chama |
| PubChem | 14314569 |
| LOTUS | LTS0221226 |
| wikiData | Q105348779 |