(1S,3S,5R,6R,8R,11S,12S,15R,16R)-15-[(2S,3R,4E)-3-hydroxy-6-methylhepta-4,6-dien-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-5,6-diol
| Internal ID | 1163e562-7f0c-4bb4-aeb8-de649ce83661 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | (1S,3S,5R,6R,8R,11S,12S,15R,16R)-15-[(2S,3R,4E)-3-hydroxy-6-methylhepta-4,6-dien-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-5,6-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H48O3/c1-18(2)8-9-21(31)19(3)20-12-13-28(7)24-11-10-23-26(4,5)25(33)22(32)16-30(23)17-29(24,30)15-14-27(20,28)6/h8-9,19-25,31-33H,1,10-17H2,2-7H3/b9-8+/t19-,20+,21+,22+,23-,24-,25-,27+,28-,29-,30+/m0/s1 |
| InChI Key | RIAXSTBVQKAQTH-QIRBZJIYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H48O3 |
| Molecular Weight | 456.70 g/mol |
| Exact Mass | 456.36034539 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 7.60 |
| There are no found synonyms. |
![2D Structure of (1S,3S,5R,6R,8R,11S,12S,15R,16R)-15-[(2S,3R,4E)-3-hydroxy-6-methylhepta-4,6-dien-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-5,6-diol](https://plantaedb.com/storage/docs/compounds/2023/11/7c8de490-84e7-11ee-b77d-b3c57460dd20.jpg "2D Structure of (1S,3S,5R,6R,8R,11S,12S,15R,16R)-15-[(2S,3R,4E)-3-hydroxy-6-methylhepta-4,6-dien-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-5,6-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.62% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.25% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.56% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.65% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.21% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.25% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.19% | 95.89% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.14% | 90.24% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.73% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.68% | 85.14% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.48% | 97.79% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.40% | 92.86% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.37% | 92.88% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.97% | 94.45% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 82.71% | 80.96% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.13% | 91.49% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.74% | 100.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.32% | 85.30% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.86% | 94.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.55% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.12% | 97.09% |
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.
| There are no matching plants. |
| PubChem | 162888288 |
| LOTUS | LTS0205677 |
| wikiData | Q105236743 |