(5S,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(E,2R)-5-propan-2-ylhept-5-en-2-yl]-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
| Internal ID | cc856cd5-b36e-4a6d-b7c8-68b1bfa41a3a |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Stigmastanes and derivatives |
| IUPAC Name | (5S,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(E,2R)-5-propan-2-ylhept-5-en-2-yl]-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one |
| SMILES (Canonical) | CC=C(CCC(C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(=O)C4(C)C)C)C)C)C(C)C |
| SMILES (Isomeric) | C/C=C(\CC[C@@H](C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)/C(C)C |
| InChI | InChI=1S/C32H52O/c1-10-23(21(2)3)12-11-22(4)24-15-19-32(9)26-13-14-27-29(5,6)28(33)17-18-30(27,7)25(26)16-20-31(24,32)8/h10,21-22,24,27H,11-20H2,1-9H3/b23-10+/t22-,24-,27-,30-,31-,32+/m1/s1 |
| InChI Key | ZOFPORMZJOXWMO-OQUCSGEXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H52O |
| Molecular Weight | 452.80 g/mol |
| Exact Mass | 452.401816278 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 9.40 |
| There are no found synonyms. |
![2D Structure of (5S,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(E,2R)-5-propan-2-ylhept-5-en-2-yl]-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/c69b4e10-8717-11ee-aee0-47c58d86827c.jpg "2D Structure of (5S,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(E,2R)-5-propan-2-ylhept-5-en-2-yl]-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one")
| 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 | 97.71% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.16% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.31% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.26% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.58% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.22% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.29% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.19% | 95.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.83% | 93.31% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.60% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.66% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.00% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.33% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.80% | 92.62% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.69% | 98.33% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.45% | 90.08% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.80% | 95.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.58% | 94.45% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.95% | 96.09% |
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.
| Litsea sericea |
| PubChem | 162864806 |
| LOTUS | LTS0228226 |
| wikiData | Q105380437 |