2-[(3S,4S,5R,8R,9R,10R,13R,14R,15R)-4,9,10,13-tetramethyl-3-propan-2-yl-15-prop-1-en-2-yl-2,3,5,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]ethanol
| Internal ID | 91541f90-d51a-4a20-a603-598b6d4f7441 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Androstane steroids |
| IUPAC Name | 2-[(3S,4S,5R,8R,9R,10R,13R,14R,15R)-4,9,10,13-tetramethyl-3-propan-2-yl-15-prop-1-en-2-yl-2,3,5,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]ethanol |
| SMILES (Canonical) | CC(C)C1CCC2(C(C1(C)CCO)CCC3C2(CCC4(C3C(CC4)C(=C)C)C)C)C |
| SMILES (Isomeric) | CC(C)[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCO)CC[C@H]3[C@]2(CC[C@@]4([C@@H]3[C@@H](CC4)C(=C)C)C)C)C |
| InChI | InChI=1S/C29H50O/c1-19(2)21-11-13-26(5)15-16-28(7)23(25(21)26)9-10-24-27(6,17-18-30)22(20(3)4)12-14-29(24,28)8/h20-25,30H,1,9-18H2,2-8H3/t21-,22-,23+,24+,25+,26+,27-,28+,29+/m0/s1 |
| InChI Key | PFCHFBIHSUACMR-IHQDTXMZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H50O |
| Molecular Weight | 414.70 g/mol |
| Exact Mass | 414.386166214 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 9.80 |
| There are no found synonyms. |
![2D Structure of 2-[(3S,4S,5R,8R,9R,10R,13R,14R,15R)-4,9,10,13-tetramethyl-3-propan-2-yl-15-prop-1-en-2-yl-2,3,5,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]ethanol](https://plantaedb.com/storage/docs/compounds/2023/11/f478ba20-8664-11ee-bd3a-3745fea084d0.jpg "2D Structure of 2-[(3S,4S,5R,8R,9R,10R,13R,14R,15R)-4,9,10,13-tetramethyl-3-propan-2-yl-15-prop-1-en-2-yl-2,3,5,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]ethanol")
| 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 | 97.91% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.78% | 96.38% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 96.81% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.77% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.48% | 96.09% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 93.08% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.16% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.46% | 97.79% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.05% | 94.75% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 87.74% | 99.17% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.69% | 97.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.87% | 97.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.33% | 89.05% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.68% | 92.86% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 85.66% | 97.64% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.04% | 99.18% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.98% | 82.69% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.92% | 92.88% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.67% | 100.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 84.49% | 82.50% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 83.85% | 95.34% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.64% | 95.89% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 83.54% | 98.10% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.29% | 96.47% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.10% | 97.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.98% | 95.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.57% | 92.94% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.06% | 95.38% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.82% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.70% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.56% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.24% | 91.24% |
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.
| Hoya australis |
| PubChem | 101630937 |
| LOTUS | LTS0209901 |
| wikiData | Q105207626 |