CID 70682451
| Internal ID | 4930c826-16a9-43ba-9e2d-d17d671c5953 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (3S,8R,9S,10R,13S,14R,17S)-17-[(E,2S)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H54O2/c1-21(11-10-17-27(2,3)33-9)22-14-19-31(8)24-12-13-25-28(4,5)26(32)16-18-29(25,6)23(24)15-20-30(22,31)7/h10,17,21-26,32H,11-16,18-20H2,1-9H3/b17-10+/t21-,22-,23-,24+,25?,26-,29+,30-,31+/m0/s1 |
| InChI Key | AHAJUDPVPSLOAM-MCTQLSMQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C31H54O2 |
| Molecular Weight | 458.80 g/mol |
| Exact Mass | 458.412380961 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 8.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 98.74% | 89.76% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.33% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.07% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 95.39% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.71% | 94.45% |
| CHEMBL233 | P35372 | Mu opioid receptor | 92.36% | 97.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.60% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 91.57% | 91.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.66% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.07% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.83% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.18% | 97.79% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.19% | 94.75% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 85.69% | 96.25% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.43% | 95.89% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.62% | 87.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.28% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.15% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.94% | 100.00% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 83.78% | 100.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 83.75% | 85.31% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 83.28% | 97.47% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.97% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.83% | 92.62% |
| CHEMBL204 | P00734 | Thrombin | 82.83% | 96.01% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 82.23% | 99.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.68% | 98.03% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 80.98% | 95.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.82% | 96.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.39% | 91.07% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.22% | 99.18% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.04% | 97.29% |
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.
| Cornus walteri |
| PubChem | 70682451 |
| NPASS | NPC470558 |
| ChEMBL | CHEMBL2069126 |