methyl (6R)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate
| Internal ID | c456f0f6-d095-405c-a30f-356fbd8b7bd4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | methyl (6R)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H46O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h16-17,19-20,22-23,33,35H,9-15H2,1-8H3/t16-,17?,19-,20+,22+,23+,29+,30-,31+/m1/s1 |
| InChI Key | RDZRNUXQSVYSHW-DEPVCMHBSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C31H46O7 |
| Molecular Weight | 530.70 g/mol |
| Exact Mass | 530.32435380 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 2.50 |
| CHEMBL1087181 |
![2D Structure of methyl (6R)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-ganoderate-b.jpg "2D Structure of methyl (6R)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.89% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.05% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.85% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.76% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.79% | 98.95% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 93.57% | 88.84% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 93.01% | 85.30% |
| CHEMBL240 | Q12809 | HERG | 91.50% | 89.76% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.28% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.14% | 97.79% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.75% | 91.19% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.70% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.07% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 84.57% | 97.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.36% | 94.33% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.06% | 98.03% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.20% | 91.07% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.10% | 93.03% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.08% | 96.38% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.07% | 82.69% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 82.91% | 99.17% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.78% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.52% | 92.62% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 81.89% | 95.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.39% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.16% | 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.
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| There are no matching plants. |
| PubChem | 21632955 |
| LOTUS | LTS0029923 |
| wikiData | Q105234580 |