(1R,4S,5S,9R,10S,13R,15R)-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-ol
Internal ID | bf11dd8f-fdcc-4e48-9ec4-72754754bef6 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
IUPAC Name | (1R,4S,5S,9R,10S,13R,15R)-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-ol |
SMILES (Canonical) | CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4O)C)CO |
SMILES (Isomeric) | C[C@@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)[C@H]4O)C)CO |
InChI | InChI=1S/C20H32O2/c1-13-14-5-6-16-19(3)9-4-8-18(2,12-21)15(19)7-10-20(16,11-14)17(13)22/h14-17,21-22H,1,4-12H2,2-3H3/t14-,15-,16+,17-,18-,19-,20-/m1/s1 |
InChI Key | LYIUHFZMUDDFHQ-PDEMJFSWSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H32O2 |
Molecular Weight | 304.50 g/mol |
Exact Mass | 304.240230259 g/mol |
Topological Polar Surface Area (TPSA) | 40.50 Ų |
XlogP | 4.00 |
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 | 93.20% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.99% | 91.11% |
CHEMBL1977 | P11473 | Vitamin D receptor | 91.98% | 99.43% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.83% | 96.09% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 91.26% | 95.50% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.26% | 94.75% |
CHEMBL237 | P41145 | Kappa opioid receptor | 88.82% | 98.10% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.48% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 87.92% | 98.95% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.56% | 95.89% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 86.89% | 95.93% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.51% | 90.17% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.42% | 94.45% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.39% | 100.00% |
CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.68% | 95.38% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.34% | 92.94% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.51% | 96.38% |
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.
Croton kongensis |
PubChem | 11771152 |
LOTUS | LTS0141996 |
wikiData | Q105159361 |