(4'S,5S,8R,9S,10R,13R,14R,17R)-1',4,4,10,13,14-hexamethyl-4'-propan-2-ylspiro[1,2,3,5,6,7,8,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-cyclopentene]
| Internal ID | 85b270b9-fa1e-4e9a-a068-65863e157d3c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (4'S,5S,8R,9S,10R,13R,14R,17R)-1',4,4,10,13,14-hexamethyl-4'-propan-2-ylspiro[1,2,3,5,6,7,8,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-cyclopentene] |
| SMILES (Canonical) | CC1=CCC(C12CCC3(C2(CCC4C3CCC5C4(CCCC5(C)C)C)C)C)C(C)C |
| SMILES (Isomeric) | CC1=CC[C@H]([C@]12CC[C@]3([C@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C(C)C |
| InChI | InChI=1S/C30H50/c1-20(2)22-11-10-21(3)30(22)19-18-28(7)24-12-13-25-26(4,5)15-9-16-27(25,6)23(24)14-17-29(28,30)8/h10,20,22-25H,9,11-19H2,1-8H3/t22-,23-,24+,25-,27+,28+,29+,30-/m0/s1 |
| InChI Key | WYTLLMBHUGAQFP-KZXGMOJPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H50 |
| Molecular Weight | 410.70 g/mol |
| Exact Mass | 410.391251595 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 10.60 |
| There are no found synonyms. |
![2D Structure of (4'S,5S,8R,9S,10R,13R,14R,17R)-1',4,4,10,13,14-hexamethyl-4'-propan-2-ylspiro[1,2,3,5,6,7,8,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-cyclopentene]](https://plantaedb.com/storage/docs/compounds/2023/11/e34c3e20-87c4-11ee-8046-9552b25edf96.jpg "2D Structure of (4'S,5S,8R,9S,10R,13R,14R,17R)-1',4,4,10,13,14-hexamethyl-4'-propan-2-ylspiro[1,2,3,5,6,7,8,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-cyclopentene]")
| 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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 98.57% | 96.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.78% | 95.56% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 93.57% | 99.18% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.37% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.80% | 94.75% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 90.55% | 95.92% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.34% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.32% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.19% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.28% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.17% | 97.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.02% | 96.43% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 84.83% | 93.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.69% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.50% | 98.95% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 83.45% | 95.34% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.32% | 94.45% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 82.68% | 96.09% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.32% | 91.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.00% | 97.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.58% | 90.71% |
| CHEMBL5932 | P53671 | LIM domain kinase 2 | 81.07% | 96.49% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.62% | 93.04% |
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.
| Adiantum venustum |
| PubChem | 101705045 |
| LOTUS | LTS0053627 |
| wikiData | Q105322639 |