6-hydroxy-5-(2-hydroxyethyl)-2-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylheptanoic acid
| Internal ID | b5ebfd35-eadd-4bb1-9e35-e16be9e094dd |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Stigmastanes and derivatives |
| IUPAC Name | 6-hydroxy-5-(2-hydroxyethyl)-2-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylheptanoic acid |
| SMILES (Canonical) | CC1(C2CCC3=C(C2(CCC1O)C)CCC4(C3(CCC4C(CCC(CCO)C(C)(C)O)C(=O)O)C)C)C |
| SMILES (Isomeric) | CC1(C2CCC3=C(C2(CCC1O)C)CCC4(C3(CCC4C(CCC(CCO)C(C)(C)O)C(=O)O)C)C)C |
| InChI | InChI=1S/C32H54O5/c1-28(2)25-11-10-24-23(30(25,5)16-14-26(28)34)13-18-31(6)22(12-17-32(24,31)7)21(27(35)36)9-8-20(15-19-33)29(3,4)37/h20-22,25-26,33-34,37H,8-19H2,1-7H3,(H,35,36) |
| InChI Key | NXQZDWWJEWCQPT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H54O5 |
| Molecular Weight | 518.80 g/mol |
| Exact Mass | 518.39712482 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of 6-hydroxy-5-(2-hydroxyethyl)-2-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylheptanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/b543e000-876f-11ee-8592-e961d04fa89d.jpg "2D Structure of 6-hydroxy-5-(2-hydroxyethyl)-2-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylheptanoic 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.24% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.09% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.69% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.46% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.91% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.92% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.92% | 97.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.25% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.88% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.87% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.65% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.01% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.35% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 83.18% | 97.50% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.57% | 97.93% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.03% | 93.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.10% | 94.33% |
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.
| Ozoroa insignis |
| PubChem | 162915228 |
| LOTUS | LTS0093502 |
| wikiData | Q105187300 |