(1S,3R,8S,11S,12S,13S,15R,16R)-7,7,13,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane
| Internal ID | 29e620c2-dfe1-4921-af45-b8c12b5a6a44 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1S,3R,8S,11S,12S,13S,15R,16R)-7,7,13,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane |
| SMILES (Canonical) | CC1CC(C2(C1C3CCC4C(CCCC45C3(C5)CC2)(C)C)C)C(C)CCC=C(C)C |
| SMILES (Isomeric) | C[C@H]1C[C@@H]([C@@]2([C@@H]1[C@@H]3CC[C@@H]4[C@@]5([C@]3(C5)CC2)CCCC4(C)C)C)[C@H](C)CCC=C(C)C |
| InChI | InChI=1S/C30H50/c1-20(2)10-8-11-21(3)24-18-22(4)26-23-12-13-25-27(5,6)14-9-15-30(25)19-29(23,30)17-16-28(24,26)7/h10,21-26H,8-9,11-19H2,1-7H3/t21-,22+,23+,24-,25+,26+,28-,29+,30-/m1/s1 |
| InChI Key | YWQSXCGKJDUYTL-HOWGBSLLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50 |
| Molecular Weight | 410.70 g/mol |
| Exact Mass | 410.391251595 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 11.20 |
| There are no found synonyms. |
![2D Structure of (1S,3R,8S,11S,12S,13S,15R,16R)-7,7,13,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane](https://plantaedb.com/storage/docs/compounds/2023/11/bf18b540-8631-11ee-a558-2750818bbb7d.jpg "2D Structure of (1S,3R,8S,11S,12S,13S,15R,16R)-7,7,13,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane")
| 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 | 99.09% | 97.25% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 96.85% | 95.58% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.38% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.62% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.03% | 91.11% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 91.29% | 98.10% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.25% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.81% | 98.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 90.76% | 97.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.63% | 97.09% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 90.29% | 99.18% |
| CHEMBL3837 | P07711 | Cathepsin L | 89.49% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.20% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.56% | 90.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.40% | 94.75% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.35% | 95.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.30% | 92.94% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 86.14% | 95.69% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 85.90% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.82% | 93.56% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 85.28% | 95.92% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 85.13% | 97.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.61% | 82.69% |
| CHEMBL238 | Q01959 | Dopamine transporter | 84.34% | 95.88% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.55% | 93.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.32% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.32% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.05% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.68% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.62% | 90.08% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.45% | 96.61% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.02% | 89.50% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 81.92% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.00% | 90.71% |
| CHEMBL236 | P41143 | Delta opioid receptor | 80.76% | 99.35% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 80.64% | 96.03% |
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.
| Mangifera indica |
| PubChem | 162959957 |
| LOTUS | LTS0142967 |
| wikiData | Q105367085 |