(1S,3R,10R,13S,14S,17R,18R)-14,18-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-9-methylidene-7-oxapentacyclo[11.7.0.01,3.03,10.014,18]icosan-6-one
| Internal ID | 8448b437-03bb-478d-be39-59581be8c92a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1S,3R,10R,13S,14S,17R,18R)-14,18-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-9-methylidene-7-oxapentacyclo[11.7.0.01,3.03,10.014,18]icosan-6-one |
| SMILES (Canonical) | CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)OCC5=C)C)C |
| SMILES (Isomeric) | C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CCC(=O)OCC5=C)C)C |
| InChI | InChI=1S/C30H46O2/c1-20(2)8-7-9-21(3)23-12-14-28(6)25-11-10-24-22(4)18-32-26(31)13-15-29(24)19-30(25,29)17-16-27(23,28)5/h8,21,23-25H,4,7,9-19H2,1-3,5-6H3/t21-,23-,24+,25+,27-,28+,29-,30+/m1/s1 |
| InChI Key | VXHZFEOUKLCDJD-RISGNIHZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H46O2 |
| Molecular Weight | 438.70 g/mol |
| Exact Mass | 438.349780706 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 8.70 |
| There are no found synonyms. |
![2D Structure of (1S,3R,10R,13S,14S,17R,18R)-14,18-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-9-methylidene-7-oxapentacyclo[11.7.0.01,3.03,10.014,18]icosan-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/6b987c20-8708-11ee-bd89-d3367bac75fd.jpg "2D Structure of (1S,3R,10R,13S,14S,17R,18R)-14,18-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-9-methylidene-7-oxapentacyclo[11.7.0.01,3.03,10.014,18]icosan-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.03% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.18% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.14% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.90% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.81% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.81% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.38% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.29% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.64% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.22% | 93.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.53% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.34% | 97.09% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 85.31% | 99.43% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.04% | 96.38% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.70% | 92.62% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.06% | 92.88% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.75% | 94.78% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.48% | 95.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.33% | 91.19% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 81.08% | 99.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.00% | 93.56% |
| CHEMBL4105786 | P41182 | B-cell lymphoma 6 protein | 80.23% | 92.86% |
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.
| Gardenia tubifera |
| PubChem | 21586207 |
| LOTUS | LTS0206530 |
| wikiData | Q105298516 |