(6R)-6-[(1S,3R,6S,8R,11R,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-1-en-3-one
| Internal ID | d9d8d0c7-dfad-4bb4-84a0-fe1bdeb29b6d |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | (6R)-6-[(1S,3R,6S,8R,11R,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-1-en-3-one |
| SMILES (Canonical) | CC(CCC(=O)C(=C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C |
| SMILES (Isomeric) | C[C@H](CCC(=O)C(=C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C |
| InChI | InChI=1S/C30H48O2/c1-19(2)22(31)9-8-20(3)21-12-14-28(7)24-11-10-23-26(4,5)25(32)13-15-29(23)18-30(24,29)17-16-27(21,28)6/h20-21,23-25,32H,1,8-18H2,2-7H3/t20-,21-,23+,24-,25+,27-,28+,29-,30+/m1/s1 |
| InChI Key | IUKHRGYJJZRAQW-BNGBPTEYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O2 |
| Molecular Weight | 440.70 g/mol |
| Exact Mass | 440.365430770 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 8.20 |
| There are no found synonyms. |
![2D Structure of (6R)-6-[(1S,3R,6S,8R,11R,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-1-en-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/2bc69900-8670-11ee-9964-691e61d2e77d.jpg "2D Structure of (6R)-6-[(1S,3R,6S,8R,11R,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-1-en-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.08% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.40% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.33% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.92% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.89% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.38% | 82.69% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.78% | 96.61% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 88.59% | 91.24% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 87.82% | 98.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.30% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.99% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.22% | 96.95% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.96% | 93.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.44% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.02% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.97% | 97.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.81% | 89.05% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.75% | 95.89% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.29% | 94.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.15% | 95.50% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 83.03% | 98.05% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.93% | 97.93% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.61% | 95.71% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.01% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.69% | 98.10% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.35% | 90.71% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.04% | 92.86% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.75% | 96.38% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 80.31% | 96.33% |
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.
| Euphorbia cyparissias |
| PubChem | 162922321 |
| LOTUS | LTS0271607 |
| wikiData | Q105120644 |