(1R,3R,6S,7S,8R,11R,12S,15R,16R)-15-[(2R,5R)-5,6-dimethylheptan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
| Internal ID | 9ebc8fee-daf5-42d6-bf07-3290c609cb7d |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | (1R,3R,6S,7S,8R,11R,12S,15R,16R)-15-[(2R,5R)-5,6-dimethylheptan-2-yl]-7,12,16-trimethylpentacyclo[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)CC[C@@H](C)C(C)C)C |
| InChI | InChI=1S/C30H52O/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/h19-26,31H,8-18H2,1-7H3/t20-,21-,22+,23-,24-,25+,26-,27-,28+,29-,30-/m1/s1 |
| InChI Key | OISWGDKPEUZHCQ-GOQRDPBBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H52O |
| Molecular Weight | 428.70 g/mol |
| Exact Mass | 428.401816278 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 10.10 |
| There are no found synonyms. |
![2D Structure of (1R,3R,6S,7S,8R,11R,12S,15R,16R)-15-[(2R,5R)-5,6-dimethylheptan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/afff0fb0-8543-11ee-8013-e52f0a73768a.jpg "2D Structure of (1R,3R,6S,7S,8R,11R,12S,15R,16R)-15-[(2R,5R)-5,6-dimethylheptan-2-yl]-7,12,16-trimethylpentacyclo[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 | 97.81% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.42% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.08% | 91.11% |
| CHEMBL233 | P35372 | Mu opioid receptor | 92.19% | 97.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.00% | 90.17% |
| CHEMBL3837 | P07711 | Cathepsin L | 91.27% | 96.61% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.52% | 96.61% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.98% | 94.75% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 86.66% | 95.92% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.13% | 90.24% |
| CHEMBL240 | Q12809 | HERG | 85.35% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.56% | 98.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.29% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.04% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.73% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.00% | 92.86% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.97% | 97.79% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 82.74% | 95.58% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.20% | 90.71% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.09% | 93.00% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 81.03% | 99.17% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.48% | 99.18% |
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 |
| PubChem | 162970971 |
| LOTUS | LTS0215132 |
| wikiData | Q105192737 |