(2R,3R,5R)-3-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-5-(2-methylprop-1-enyl)oxolan-2-ol
| Internal ID | c8123cd8-0a1e-413a-8da8-adb22eccfe0c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids > Limonoids |
| IUPAC Name | (2R,3R,5R)-3-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-5-(2-methylprop-1-enyl)oxolan-2-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H48O3/c1-18(2)15-19-16-20(25(32)33-19)21-9-11-28(6)23-8-7-22-26(3,4)24(31)10-12-29(22)17-30(23,29)14-13-27(21,28)5/h15,19-25,31-32H,7-14,16-17H2,1-6H3/t19-,20+,21+,22-,23-,24-,25+,27+,28-,29+,30-/m0/s1 |
| InChI Key | PNHZWFFQDCZBOE-AVRKFGKWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H48O3 |
| Molecular Weight | 456.70 g/mol |
| Exact Mass | 456.36034539 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 7.70 |
| There are no found synonyms. |
![2D Structure of (2R,3R,5R)-3-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-5-(2-methylprop-1-enyl)oxolan-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/c9ef4870-82e6-11ee-b524-a102572f9807.jpg "2D Structure of (2R,3R,5R)-3-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-5-(2-methylprop-1-enyl)oxolan-2-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 94.09% | 96.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.05% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.38% | 91.11% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 91.50% | 95.58% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.05% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.38% | 96.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 89.25% | 89.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.57% | 97.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.42% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.26% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.72% | 92.94% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.85% | 95.50% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.60% | 95.38% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.35% | 96.61% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.74% | 95.93% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.58% | 97.14% |
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.
| Monocyclanthus vignei |
| PubChem | 101637210 |
| LOTUS | LTS0211893 |
| wikiData | Q105211947 |