3a,4',4',5a,7'a,9a-Hexamethyl-3-propan-2-ylspiro[1,2,3,4,5,8,9,9b-octahydrocyclopenta[a]naphthalene-7,1'-3,3a,6,7-tetrahydroindene]-2',5',6-trione
| Internal ID | cfd34777-221b-4458-a303-719792f6de4b |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones |
| IUPAC Name | 3a,4',4',5a,7'a,9a-hexamethyl-3-propan-2-ylspiro[1,2,3,4,5,8,9,9b-octahydrocyclopenta[a]naphthalene-7,1'-3,3a,6,7-tetrahydroindene]-2',5',6-trione |
| SMILES (Canonical) | CC(C)C1CCC2C1(CCC3(C2(CCC4(C3=O)C(=O)CC5C4(CCC(=O)C5(C)C)C)C)C)C |
| SMILES (Isomeric) | CC(C)C1CCC2C1(CCC3(C2(CCC4(C3=O)C(=O)CC5C4(CCC(=O)C5(C)C)C)C)C)C |
| InChI | InChI=1S/C30H46O3/c1-18(2)19-9-10-20-26(19,5)13-14-29(8)24(33)30(16-15-27(20,29)6)23(32)17-21-25(3,4)22(31)11-12-28(21,30)7/h18-21H,9-17H2,1-8H3 |
| InChI Key | VHGXUAXULKOIDZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H46O3 |
| Molecular Weight | 454.70 g/mol |
| Exact Mass | 454.34469533 g/mol |
| Topological Polar Surface Area (TPSA) | 51.20 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of 3a,4',4',5a,7'a,9a-Hexamethyl-3-propan-2-ylspiro[1,2,3,4,5,8,9,9b-octahydrocyclopenta[a]naphthalene-7,1'-3,3a,6,7-tetrahydroindene]-2',5',6-trione](https://plantaedb.com/storage/docs/compounds/2023/11/205e7fc0-8712-11ee-9ecf-d5fe293909d8.jpg "2D Structure of 3a,4',4',5a,7'a,9a-Hexamethyl-3-propan-2-ylspiro[1,2,3,4,5,8,9,9b-octahydrocyclopenta[a]naphthalene-7,1'-3,3a,6,7-tetrahydroindene]-2',5',6-trione")
| 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 | 95.87% | 96.38% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 94.26% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.69% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.23% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.86% | 95.56% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 88.77% | 95.69% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 87.83% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.52% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.14% | 91.11% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.14% | 90.08% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.66% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.64% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.04% | 97.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.66% | 91.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.55% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.10% | 94.45% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.90% | 92.88% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.07% | 93.31% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.88% | 95.89% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.87% | 92.98% |
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 maculata |
| PubChem | 14807798 |
| LOTUS | LTS0141978 |
| wikiData | Q105286423 |