3-[(3S,4S,8S,9R,10S,13R,14R,17R)-4,8,9,13-tetramethyl-17-propan-2-yl-3-prop-1-en-2-yl-2,3,7,10,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-4-yl]propanoic acid
| Internal ID | 5f9e4fa1-e0c9-4f3e-843d-cdf3c0a9e7ea |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid acids |
| IUPAC Name | 3-[(3S,4S,8S,9R,10S,13R,14R,17R)-4,8,9,13-tetramethyl-17-propan-2-yl-3-prop-1-en-2-yl-2,3,7,10,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-4-yl]propanoic acid |
| SMILES (Canonical) | CC(C)C1CCC2C1(CCC3(C2(CC=C4C3CCC(C4(C)CCC(=O)O)C(=C)C)C)C)C |
| SMILES (Isomeric) | CC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@]3([C@]2(CC=C4[C@H]3CC[C@H]([C@]4(C)CCC(=O)O)C(=C)C)C)C)C |
| InChI | InChI=1S/C30H48O2/c1-19(2)21-9-10-24-23(27(21,5)15-14-26(31)32)13-16-30(8)25-12-11-22(20(3)4)28(25,6)17-18-29(24,30)7/h13,20-22,24-25H,1,9-12,14-18H2,2-8H3,(H,31,32)/t21-,22+,24+,25+,27-,28+,29+,30-/m0/s1 |
| InChI Key | UQVLTKFIRTZARY-OJRKAWJFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H48O2 |
| Molecular Weight | 440.70 g/mol |
| Exact Mass | 440.365430770 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 9.10 |
| There are no found synonyms. |
![2D Structure of 3-[(3S,4S,8S,9R,10S,13R,14R,17R)-4,8,9,13-tetramethyl-17-propan-2-yl-3-prop-1-en-2-yl-2,3,7,10,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-4-yl]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/1ad9b350-8629-11ee-b254-af7e367d70d4.jpg "2D Structure of 3-[(3S,4S,8S,9R,10S,13R,14R,17R)-4,8,9,13-tetramethyl-17-propan-2-yl-3-prop-1-en-2-yl-2,3,7,10,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-4-yl]propanoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.39% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.87% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.05% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.96% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.26% | 90.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.60% | 96.38% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.38% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.51% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.60% | 93.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.30% | 94.45% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.99% | 92.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.54% | 96.61% |
| CHEMBL5028 | O14672 | ADAM10 | 83.30% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.22% | 95.89% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.57% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.25% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.87% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.61% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.14% | 82.69% |
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.
| Euphorbia chamaesyce |
| PubChem | 10365993 |
| LOTUS | LTS0131565 |
| wikiData | Q105277504 |