Rhabdastrellin C
| Internal ID | c44806fc-9849-4610-9050-6f7ed378d84f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (3E,3aS,5aR,6S,7S,9aR,9bS)-3-[(3E,5E,7E)-9,10-dihydroxy-6,10-dimethylundeca-3,5,7-trien-2-ylidene]-7-hydroxy-6-(hydroxymethyl)-3a,6,9a-trimethyl-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-2-one |
| SMILES (Canonical) | CC(=CC=CC(=C1C(=O)CC2C1(CCC3C2(CCC(C3(C)CO)O)C)C)C)C=CC(C(C)(C)O)O |
| SMILES (Isomeric) | C/C(=C\C=C\C(=C/1\C(=O)C[C@@H]2[C@@]1(CC[C@@H]3[C@@]2(CC[C@@H]([C@]3(C)CO)O)C)C)\C)/C=C/C(C(C)(C)O)O |
| InChI | InChI=1S/C30H46O5/c1-19(11-12-24(33)27(3,4)35)9-8-10-20(2)26-21(32)17-23-28(5)16-14-25(34)30(7,18-31)22(28)13-15-29(23,26)6/h8-12,22-25,31,33-35H,13-18H2,1-7H3/b10-8+,12-11+,19-9+,26-20-/t22-,23+,24?,25+,28+,29+,30-/m1/s1 |
| InChI Key | WKAINZFICWJPQH-LRACOFGXSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H46O5 |
| Molecular Weight | 486.70 g/mol |
| Exact Mass | 486.33452456 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 5.50 |
| CHEMBL488978 |
| 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 | 93.42% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.08% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.75% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.44% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.55% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.98% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.75% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.30% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.75% | 83.82% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 86.20% | 87.16% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.19% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.14% | 82.69% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.64% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.94% | 86.33% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.92% | 93.31% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.77% | 89.34% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.95% | 95.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.56% | 95.89% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.34% | 92.86% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.15% | 91.07% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.74% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.42% | 93.04% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.88% | 91.03% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.47% | 91.24% |
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 | 25137457 |
| LOTUS | LTS0081063 |
| wikiData | Q105307167 |