(1S,3R,6S,7S,8R,11R,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
| Internal ID | fa4d9288-cecb-437e-b297-154f3a5db4bb |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | (1S,3R,6S,7S,8R,11R,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
| SMILES (Canonical) | CC1C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1O)C)C(C)CCC(=C)C(C)C)C |
| SMILES (Isomeric) | C[C@H]1[C@H]2CC[C@@H]3[C@@]4(CC[C@@H]([C@]4(CC[C@@]35[C@@]2(C5)CC[C@@H]1O)C)[C@H](C)CCC(=C)C(C)C)C |
| InChI | InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-26,31H,3,8-18H2,1-2,4-7H3/t21-,22+,23-,24-,25+,26-,27-,28+,29-,30+/m1/s1 |
| InChI Key | HUNLTIZKNQDZEI-WFGYALROSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O |
| Molecular Weight | 426.70 g/mol |
| Exact Mass | 426.386166214 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 9.90 |
| There are no found synonyms. |
![2D Structure of (1S,3R,6S,7S,8R,11R,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/ec64c420-8601-11ee-9d9b-b5dc21283a47.jpg "2D Structure of (1S,3R,6S,7S,8R,11R,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol")
| 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 | 99.01% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.41% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 95.82% | 89.76% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 95.49% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.39% | 96.09% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 93.23% | 90.24% |
| CHEMBL3837 | P07711 | Cathepsin L | 93.14% | 96.61% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.90% | 90.17% |
| CHEMBL233 | P35372 | Mu opioid receptor | 90.65% | 97.93% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 90.04% | 95.92% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.09% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.87% | 97.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.53% | 98.95% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.99% | 89.05% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.33% | 99.18% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 85.24% | 98.10% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 84.70% | 96.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.49% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.26% | 82.69% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.98% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.49% | 94.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.27% | 92.62% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.09% | 93.00% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.95% | 95.34% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.82% | 94.78% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 82.05% | 96.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.40% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.38% | 90.71% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.44% | 95.58% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.35% | 98.75% |
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.
| Cedrela odorata |
| Nervilia plicata |
| Vernicia fordii |
| PubChem | 163187331 |
| LOTUS | LTS0056422 |
| wikiData | Q105120019 |