(2R,5R,6S,9R,13S,16S,18R)-5,16-dihydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(20),11-dien-8-one
| Internal ID | b82a605f-55cd-488f-8877-a4066227152e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (2R,5R,6S,9R,13S,16S,18R)-5,16-dihydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(20),11-dien-8-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H46O4/c1-19(2)9-8-14-28(7)30(33)18-17-27(6)21-10-11-22-25(3,4)23(31)13-15-26(22,5)20(21)12-16-29(27,30)24(32)34-28/h10,12,19,22-23,31,33H,8-9,11,13-18H2,1-7H3/t22-,23-,26+,27+,28-,29+,30-/m0/s1 |
| InChI Key | NDXCQFYDQPZSKS-VOMFZUQNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H46O4 |
| Molecular Weight | 470.70 g/mol |
| Exact Mass | 470.33960994 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of (2R,5R,6S,9R,13S,16S,18R)-5,16-dihydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(20),11-dien-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/fcda2820-85e1-11ee-8e9b-0dc8e17c8c3c.jpg "2D Structure of (2R,5R,6S,9R,13S,16S,18R)-5,16-dihydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(20),11-dien-8-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.46% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.64% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.82% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.36% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.62% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.75% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.87% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.82% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.34% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.15% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.98% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.06% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.04% | 90.71% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.42% | 90.08% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.13% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.69% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.02% | 93.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.82% | 93.99% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.04% | 93.31% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.51% | 96.47% |
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 | 162946016 |
| LOTUS | LTS0210722 |
| wikiData | Q105177772 |