Resinacein R
| Internal ID | 13c6d067-b126-4255-a54c-6984695f9e3f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | methyl (6R)-6-[(3S,10S,13R,14R,15S,17R)-3,15-dihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-3-hydroxy-2-methyl-4-oxoheptanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H48O7/c1-16(13-20(32)26(36)17(2)27(37)38-8)19-14-24(35)31(7)18-9-10-22-28(3,4)23(34)11-12-29(22,5)25(18)21(33)15-30(19,31)6/h16-17,19,22-24,26,34-36H,9-15H2,1-8H3/t16-,17?,19-,22?,23+,24+,26?,29+,30-,31-/m1/s1 |
| InChI Key | FDTJOWCIQUMVQC-BBHZPCASSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C31H48O7 |
| Molecular Weight | 532.70 g/mol |
| Exact Mass | 532.34000387 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.69% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.15% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.08% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.58% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.52% | 97.09% |
| CHEMBL240 | Q12809 | HERG | 93.30% | 89.76% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.00% | 85.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.75% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.98% | 97.25% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.83% | 98.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.15% | 97.79% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.60% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.80% | 91.07% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.68% | 94.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.32% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 84.13% | 97.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.13% | 91.19% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.15% | 94.00% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 81.73% | 94.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.67% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.44% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.04% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.98% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.46% | 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.
| There are no matching plants. |
| PubChem | 139590946 |
| LOTUS | LTS0202803 |
| wikiData | Q104993786 |