(1S,3R,6S,8R,11R,12S,15R,16R)-15-[(2R)-1-hydroxy-6-methylheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
| Internal ID | ec62c252-5fae-49cc-9a75-35aa1ce136b2 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | (1S,3R,6S,8R,11R,12S,15R,16R)-15-[(2R)-1-hydroxy-6-methylheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H52O2/c1-20(2)8-7-9-21(18-31)22-12-14-28(6)24-11-10-23-26(3,4)25(32)13-15-29(23)19-30(24,29)17-16-27(22,28)5/h20-25,31-32H,7-19H2,1-6H3/t21-,22+,23-,24+,25-,27+,28-,29+,30-/m0/s1 |
| InChI Key | ZYYVXLHEBFPWMF-YCAXYGQISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H52O2 |
| Molecular Weight | 444.70 g/mol |
| Exact Mass | 444.396730897 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 8.80 |
| There are no found synonyms. |
![2D Structure of (1S,3R,6S,8R,11R,12S,15R,16R)-15-[(2R)-1-hydroxy-6-methylheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/82601ee0-870c-11ee-93ba-6f90fd8b8c15.jpg "2D Structure of (1S,3R,6S,8R,11R,12S,15R,16R)-15-[(2R)-1-hydroxy-6-methylheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[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 | 95.13% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.03% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.65% | 92.86% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.94% | 91.11% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 90.66% | 95.58% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 90.54% | 97.64% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.23% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.06% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.80% | 97.79% |
| CHEMBL3837 | P07711 | Cathepsin L | 88.62% | 96.61% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.51% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.27% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.52% | 94.75% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 87.44% | 97.47% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.41% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.84% | 95.93% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.90% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.97% | 96.95% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.67% | 93.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.58% | 96.61% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.47% | 90.24% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.46% | 92.88% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.43% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.37% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.99% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.78% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.67% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.36% | 93.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.35% | 95.89% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.26% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.14% | 98.10% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.44% | 99.35% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 81.43% | 98.05% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.38% | 95.50% |
| CHEMBL268 | P43235 | Cathepsin K | 81.27% | 96.85% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.11% | 96.47% |
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.
| Guarea guidonia |
| PubChem | 162969380 |
| LOTUS | LTS0122329 |
| wikiData | Q105386575 |