7-(Hydroxymethyl)-7,12,16-trimethyl-15-(1,5,6-trihydroxy-6-methylheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
| Internal ID | bba329a5-b159-41f6-9d30-b3f6649f2583 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | 7-(hydroxymethyl)-7,12,16-trimethyl-15-(1,5,6-trihydroxy-6-methylheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one |
| SMILES (Canonical) | CC12CCC34CC35CCC(=O)C(C5CCC4C1(CCC2C(CCC(C(C)(C)O)O)CO)C)(C)CO |
| SMILES (Isomeric) | CC12CCC34CC35CCC(=O)C(C5CCC4C1(CCC2C(CCC(C(C)(C)O)O)CO)C)(C)CO |
| InChI | InChI=1S/C30H50O5/c1-25(2,35)23(33)9-6-19(16-31)20-10-12-28(5)22-8-7-21-26(3,18-32)24(34)11-13-29(21)17-30(22,29)15-14-27(20,28)4/h19-23,31-33,35H,6-18H2,1-5H3 |
| InChI Key | CZFZDSXRUODOJQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O5 |
| Molecular Weight | 490.70 g/mol |
| Exact Mass | 490.36582469 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of 7-(Hydroxymethyl)-7,12,16-trimethyl-15-(1,5,6-trihydroxy-6-methylheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/f9fd0530-8575-11ee-8940-7db583054efd.jpg "2D Structure of 7-(Hydroxymethyl)-7,12,16-trimethyl-15-(1,5,6-trihydroxy-6-methylheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one")
| 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 | 99.56% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.93% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.98% | 98.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.21% | 96.61% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.76% | 93.04% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.92% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.63% | 97.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.47% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.22% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.54% | 82.69% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.32% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.94% | 98.03% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 84.29% | 94.78% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 83.97% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.07% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.86% | 97.29% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.11% | 94.75% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.73% | 97.79% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.25% | 100.00% |
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.
| Aglaia cucullata |
| PubChem | 75251262 |
| LOTUS | LTS0199303 |
| wikiData | Q104972769 |