(2'R,3R,3aR,3'aS,5aR,6'R,7S,7'aR,9aS,9bS)-2',6'-dihydroxy-3a,3'a,5a,7',7',9a-hexamethyl-3-propan-2-ylspiro[1,2,3,4,5,8,9,9b-octahydrocyclopenta[a]naphthalene-7,3'-1,2,4,5,6,7a-hexahydroindene]-6-one
| Internal ID | e233461e-4eaf-40ae-bca1-ab30ff82e105 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclic alcohols and derivatives |
| IUPAC Name | (2'R,3R,3aR,3'aS,5aR,6'R,7S,7'aR,9aS,9bS)-2',6'-dihydroxy-3a,3'a,5a,7',7',9a-hexamethyl-3-propan-2-ylspiro[1,2,3,4,5,8,9,9b-octahydrocyclopenta[a]naphthalene-7,3'-1,2,4,5,6,7a-hexahydroindene]-6-one |
| SMILES (Canonical) | CC(C)C1CCC2C1(CCC3(C2(CCC4(C3=O)C(CC5C4(CCC(C5(C)C)O)C)O)C)C)C |
| SMILES (Isomeric) | CC(C)[C@H]1CC[C@H]2[C@@]1(CC[C@@]3([C@]2(CC[C@@]4(C3=O)[C@@H](C[C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)O)C)C)C |
| InChI | InChI=1S/C30H50O3/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/h18-23,31-32H,9-17H2,1-8H3/t19-,20+,21+,22-,23-,26-,27+,28+,29+,30+/m1/s1 |
| InChI Key | JDAAZMSLNSRDGX-BEQRVDLOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O3 |
| Molecular Weight | 458.70 g/mol |
| Exact Mass | 458.37599545 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 7.00 |
| There are no found synonyms. |
![2D Structure of (2'R,3R,3aR,3'aS,5aR,6'R,7S,7'aR,9aS,9bS)-2',6'-dihydroxy-3a,3'a,5a,7',7',9a-hexamethyl-3-propan-2-ylspiro[1,2,3,4,5,8,9,9b-octahydrocyclopenta[a]naphthalene-7,3'-1,2,4,5,6,7a-hexahydroindene]-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/76a02590-8565-11ee-ba1b-39a831b03b44.jpg "2D Structure of (2'R,3R,3aR,3'aS,5aR,6'R,7S,7'aR,9aS,9bS)-2',6'-dihydroxy-3a,3'a,5a,7',7',9a-hexamethyl-3-propan-2-ylspiro[1,2,3,4,5,8,9,9b-octahydrocyclopenta[a]naphthalene-7,3'-1,2,4,5,6,7a-hexahydroindene]-6-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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 94.90% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.05% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.55% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.97% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.93% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.89% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.67% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.22% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.20% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.38% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.93% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.57% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.04% | 90.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.00% | 90.71% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.72% | 93.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.25% | 92.88% |
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 | 162888500 |
| LOTUS | LTS0135892 |
| wikiData | Q105125290 |