[(1R,3R,6S,7S,8R,11R,12S,15R,16R)-7,12,16-trimethyl-15-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
| Internal ID | 660c5fd6-4d20-4911-98f8-f42412f91943 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | [(1R,3R,6S,7S,8R,11R,12S,15R,16R)-7,12,16-trimethyl-15-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate |
| SMILES (Canonical) | CC=C(CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5C)OC(=O)C)C)C)C(C)C |
| SMILES (Isomeric) | C/C=C(/CC[C@@H](C)[C@H]1CC[C@@]2([C@@]1(CC[C@@]34[C@@H]2CC[C@H]5[C@]3(C4)CC[C@@H]([C@H]5C)OC(=O)C)C)C)\C(C)C |
| InChI | InChI=1S/C33H54O2/c1-9-25(21(2)3)11-10-22(4)26-14-16-31(8)29-13-12-27-23(5)28(35-24(6)34)15-17-32(27)20-33(29,32)19-18-30(26,31)7/h9,21-23,26-29H,10-20H2,1-8H3/b25-9-/t22-,23+,26-,27-,28+,29-,30-,31+,32-,33-/m1/s1 |
| InChI Key | GVVNQRJXYXEKHH-HXQSUSANSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H54O2 |
| Molecular Weight | 482.80 g/mol |
| Exact Mass | 482.412380961 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 10.70 |
| There are no found synonyms. |
![2D Structure of [(1R,3R,6S,7S,8R,11R,12S,15R,16R)-7,12,16-trimethyl-15-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/178dc710-83bb-11ee-866f-5148023153cc.jpg "2D Structure of [(1R,3R,6S,7S,8R,11R,12S,15R,16R)-7,12,16-trimethyl-15-[(Z,2R)-5-propan-2-ylhept-5-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.85% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.69% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.93% | 91.11% |
| CHEMBL3837 | P07711 | Cathepsin L | 94.77% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.63% | 98.95% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 91.69% | 89.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.07% | 94.45% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 90.56% | 95.58% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.61% | 95.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.19% | 91.19% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 89.01% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.42% | 97.09% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 88.36% | 91.24% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.97% | 97.93% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.47% | 96.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.01% | 95.89% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.48% | 98.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.99% | 82.69% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.55% | 97.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.98% | 99.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.50% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.29% | 96.38% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.59% | 92.62% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 82.22% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.06% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.79% | 93.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.73% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.43% | 90.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.20% | 92.86% |
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.
| Nervilia plicata |
| Punica granatum |
| PubChem | 162984648 |
| LOTUS | LTS0095758 |
| wikiData | Q105249576 |