[7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl] 5-(5-acetyloxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
Internal ID | 5dfaf97d-4038-417d-ab94-d9900379d745 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
IUPAC Name | [7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl] 5-(5-acetyloxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate |
SMILES (Canonical) | CC(=CCOC(=O)C)CCC1C(=C)CCC2C1(CCCC2(C)C(=O)OC3(CCCC4(C3CC(CC4)C(C)(C)O)C)C)C |
SMILES (Isomeric) | CC(=CCOC(=O)C)CCC1C(=C)CCC2C1(CCCC2(C)C(=O)OC3(CCCC4(C3CC(CC4)C(C)(C)O)C)C)C |
InChI | InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3 |
InChI Key | QIVLWPIJESKEMW-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C37H60O5 |
Molecular Weight | 584.90 g/mol |
Exact Mass | 584.44407501 g/mol |
Topological Polar Surface Area (TPSA) | 72.80 Ų |
XlogP | 8.90 |
There are no found synonyms. |
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 | 99.81% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.97% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.96% | 94.45% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.49% | 82.69% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.37% | 96.09% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.13% | 95.50% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.65% | 97.09% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.33% | 100.00% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.22% | 91.07% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.78% | 92.62% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.61% | 100.00% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.45% | 100.00% |
CHEMBL2581 | P07339 | Cathepsin D | 83.22% | 98.95% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.71% | 91.19% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.12% | 89.34% |
CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.84% | 96.90% |
CHEMBL228 | P31645 | Serotonin transporter | 80.41% | 95.51% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.34% | 89.00% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.02% | 94.33% |
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.
Cryptomeria japonica |
PubChem | 162875902 |
LOTUS | LTS0064494 |
wikiData | Q105222423 |