6-(3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptane-2,3-diol
| Internal ID | 3dc335c7-30b2-437f-846e-2d0cf7ca5b8c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 6-(3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptane-2,3-diol |
| SMILES (Canonical) | CC(CCC(C(C)(C)O)O)C1CCC2(C1=CCC3C2(CCC4C3(CCC(C4(C)C)O)C)C)C |
| SMILES (Isomeric) | CC(CCC(C(C)(C)O)O)C1CCC2(C1=CCC3C2(CCC4C3(CCC(C4(C)C)O)C)C)C |
| InChI | InChI=1S/C30H52O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-29(7)21(20)10-11-23-28(6)16-15-24(31)26(2,3)22(28)14-18-30(23,29)8/h10,19-20,22-25,31-33H,9,11-18H2,1-8H3 |
| InChI Key | YILTUZQNYINQBJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H52O3 |
| Molecular Weight | 460.70 g/mol |
| Exact Mass | 460.39164552 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of 6-(3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptane-2,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/d557a860-8651-11ee-aa2f-6f5a270cc1ef.jpg "2D Structure of 6-(3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptane-2,3-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.16% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.06% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.49% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.99% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.97% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.84% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.71% | 93.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.55% | 82.69% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.31% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.10% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.83% | 94.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.79% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.57% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.91% | 96.43% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.82% | 90.24% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.82% | 98.33% |
| CHEMBL5028 | O14672 | ADAM10 | 81.94% | 97.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.92% | 97.14% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.18% | 95.93% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.64% | 98.10% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.60% | 97.79% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.29% | 91.03% |
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.
| Boswellia sacra |
| PubChem | 74959352 |
| LOTUS | LTS0263042 |
| wikiData | Q105348897 |