(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
| Internal ID | d05aaeac-9b04-40fc-b6cb-45ba7db0cc5f |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | (1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one |
| SMILES (Canonical) | CC(CC=CC(=C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C |
| SMILES (Isomeric) | C[C@H](C/C=C/C(=C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CCC(=O)C5(C)C)C)C |
| InChI | InChI=1S/C30H46O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h8-9,21-24H,1,10-19H2,2-7H3/b9-8+/t21-,22-,23+,24+,27-,28+,29-,30+/m1/s1 |
| InChI Key | ZFWLTWOZGSIECZ-JDLQYZBYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H46O |
| Molecular Weight | 422.70 g/mol |
| Exact Mass | 422.354866087 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 9.30 |
| There are no found synonyms. |
![2D Structure of (1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/354a3470-85d2-11ee-a727-07fa11c8f8c0.jpg "2D Structure of (1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.96% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.83% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.08% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.57% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.90% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.05% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.79% | 89.34% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.59% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.21% | 93.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.02% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.83% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.79% | 95.89% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.15% | 90.08% |
| CHEMBL240 | Q12809 | HERG | 82.24% | 89.76% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.85% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.44% | 93.03% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.16% | 90.17% |
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.
| Guarea macrophylla |
| PubChem | 22297599 |
| LOTUS | LTS0162711 |
| wikiData | Q105374823 |