(1S,3R,6S,8R,11R,12S,15R,16R)-15-[(Z)-6-hydroxy-6-methylhept-2-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
| Internal ID | 5d6a5c1f-f797-4549-baec-0014e8fc426a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1S,3R,6S,8R,11R,12S,15R,16R)-15-[(Z)-6-hydroxy-6-methylhept-2-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
| SMILES (Canonical) | CC(=CCCC(C)(C)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C |
| SMILES (Isomeric) | C/C(=C/CCC(C)(C)O)/[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/C30H50O2/c1-20(9-8-14-25(2,3)32)21-12-15-28(7)23-11-10-22-26(4,5)24(31)13-16-29(22)19-30(23,29)18-17-27(21,28)6/h9,21-24,31-32H,8,10-19H2,1-7H3/b20-9-/t21-,22+,23-,24+,27-,28+,29-,30+/m1/s1 |
| InChI Key | JRYKWXUTULWNQX-UUUGNUEZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H50O2 |
| Molecular Weight | 442.70 g/mol |
| Exact Mass | 442.381080833 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 8.20 |
| There are no found synonyms. |
![2D Structure of (1S,3R,6S,8R,11R,12S,15R,16R)-15-[(Z)-6-hydroxy-6-methylhept-2-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/d3b33c10-8588-11ee-8756-03bcbbeec8fd.jpg "2D Structure of (1S,3R,6S,8R,11R,12S,15R,16R)-15-[(Z)-6-hydroxy-6-methylhept-2-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol")
| 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 | 98.82% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.74% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.73% | 96.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.95% | 97.09% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 89.80% | 97.64% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.18% | 97.93% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.15% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.71% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.90% | 100.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 84.55% | 95.00% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 84.42% | 99.43% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 84.14% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.73% | 93.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.13% | 95.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.55% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.23% | 97.79% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.78% | 89.34% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.24% | 91.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.16% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.08% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.53% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.49% | 94.75% |
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 | 163085196 |
| LOTUS | LTS0146966 |
| wikiData | Q105134200 |