6-(5,6-Dihydroxy-6-methylhept-2-en-2-yl)-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecane-3,15-diol
| Internal ID | 5d91e018-d2cd-4d86-8e69-e510862e8d47 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 6-(5,6-dihydroxy-6-methylhept-2-en-2-yl)-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecane-3,15-diol |
| SMILES (Canonical) | CC(=CCC(C(C)(C)O)O)C1CCC2(C1CC(C3C2(CCC4C35CCC(C4(C)C)(OC5)O)C)O)C |
| SMILES (Isomeric) | CC(=CCC(C(C)(C)O)O)C1CCC2(C1CC(C3C2(CCC4C35CCC(C4(C)C)(OC5)O)C)O)C |
| InChI | InChI=1S/C30H50O5/c1-18(8-9-23(32)26(4,5)33)19-10-12-27(6)20(19)16-21(31)24-28(27,7)13-11-22-25(2,3)30(34)15-14-29(22,24)17-35-30/h8,19-24,31-34H,9-17H2,1-7H3 |
| InChI Key | ZEUZPNRYEDEMBZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O5 |
| Molecular Weight | 490.70 g/mol |
| Exact Mass | 490.36582469 g/mol |
| Topological Polar Surface Area (TPSA) | 90.20 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of 6-(5,6-Dihydroxy-6-methylhept-2-en-2-yl)-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecane-3,15-diol](https://plantaedb.com/storage/docs/compounds/2023/11/211d7480-843d-11ee-9fb4-4d46945f27d8.jpg "2D Structure of 6-(5,6-Dihydroxy-6-methylhept-2-en-2-yl)-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecane-3,15-diol")
| 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 | 99.76% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.55% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.38% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.18% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.85% | 98.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.71% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.43% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.08% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.23% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.59% | 91.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.38% | 97.79% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.13% | 85.14% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.65% | 96.38% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 86.68% | 95.00% |
| CHEMBL3983 | P33981 | Dual specificity protein kinase TTK | 86.50% | 98.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.81% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.34% | 82.69% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 84.48% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.09% | 96.77% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 83.90% | 95.58% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.74% | 89.50% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.60% | 82.50% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.27% | 97.93% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.25% | 97.05% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.47% | 97.28% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.99% | 96.47% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.98% | 98.75% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.93% | 90.24% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.87% | 97.29% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.77% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.55% | 95.38% |
| CHEMBL5646 | Q6L5J4 | FML2_HUMAN | 80.51% | 100.00% |
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.
| Varronia curassavica |
| PubChem | 162932502 |
| LOTUS | LTS0126290 |
| wikiData | Q105373719 |