17-(6-hydroxy-6-methylhepta-1,4-dien-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
| Internal ID | dc65734b-87eb-45c0-be01-b0ad4d4e68b8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 17-(6-hydroxy-6-methylhepta-1,4-dien-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| SMILES (Canonical) | CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC4C(=C)CC=CC(C)(C)O)C)C)C |
| SMILES (Isomeric) | CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC4C(=C)CC=CC(C)(C)O)C)C)C |
| InChI | InChI=1S/C30H50O2/c1-20(10-9-16-26(2,3)32)21-13-18-29(7)22(21)11-12-24-28(6)17-15-25(31)27(4,5)23(28)14-19-30(24,29)8/h9,16,21-25,31-32H,1,10-15,17-19H2,2-8H3 |
| InChI Key | HSBKLMIYIQJQRR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O2 |
| Molecular Weight | 442.70 g/mol |
| Exact Mass | 442.381080833 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 8.40 |
| There are no found synonyms. |
![2D Structure of 17-(6-hydroxy-6-methylhepta-1,4-dien-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/49c2eee0-860a-11ee-bae7-73382a78e8d4.jpg "2D Structure of 17-(6-hydroxy-6-methylhepta-1,4-dien-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 96.67% | 89.76% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.06% | 97.25% |
| CHEMBL233 | P35372 | Mu opioid receptor | 95.10% | 97.93% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.96% | 96.61% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.96% | 91.11% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 92.15% | 92.98% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.22% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.85% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.02% | 94.75% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 85.59% | 97.64% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.28% | 96.09% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.57% | 99.18% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.25% | 100.00% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 83.63% | 92.97% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 82.86% | 96.09% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 82.71% | 92.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.69% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.43% | 96.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.03% | 98.95% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 81.94% | 85.49% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.61% | 90.08% |
| CHEMBL204 | P00734 | Thrombin | 81.41% | 96.01% |
| CHEMBL4246 | P42680 | Tyrosine-protein kinase TEC | 81.03% | 82.05% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.81% | 100.00% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.79% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.48% | 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.
| Santolina oblongifolia |
| PubChem | 74969663 |
| LOTUS | LTS0069219 |
| wikiData | Q105032939 |