(1S,2S,4S,5S,9R,10S)-5,14-bis(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-2-ol
Internal ID | 535487c3-d89c-4c9a-aa16-bf1578b9b7ff |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
IUPAC Name | (1S,2S,4S,5S,9R,10S)-5,14-bis(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-2-ol |
SMILES (Canonical) | CC1(CCCC2(C1CC(C34C2CCC(C3)C(=C4)CO)O)C)CO |
SMILES (Isomeric) | C[C@@]1(CCC[C@@]2([C@@H]1C[C@@H]([C@@]34[C@H]2CCC(C3)C(=C4)CO)O)C)CO |
InChI | InChI=1S/C20H32O3/c1-18(12-22)6-3-7-19(2)15-5-4-13-9-20(15,10-14(13)11-21)17(23)8-16(18)19/h10,13,15-17,21-23H,3-9,11-12H2,1-2H3/t13?,15-,16+,17-,18+,19-,20-/m0/s1 |
InChI Key | ISPRHUJIKNEKQV-SKUMWQSZSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H32O3 |
Molecular Weight | 320.50 g/mol |
Exact Mass | 320.23514488 g/mol |
Topological Polar Surface Area (TPSA) | 60.70 Ų |
XlogP | 2.70 |
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 |
---|---|---|---|---|
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.37% | 97.09% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.90% | 96.09% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.72% | 82.69% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.61% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.29% | 91.11% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 90.22% | 95.93% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.47% | 95.89% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.71% | 95.50% |
CHEMBL2581 | P07339 | Cathepsin D | 86.29% | 98.95% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.25% | 100.00% |
CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.72% | 95.38% |
CHEMBL237 | P41145 | Kappa opioid receptor | 82.80% | 98.10% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.11% | 94.45% |
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.
Sideritis soluta |
PubChem | 163188969 |
LOTUS | LTS0109001 |
wikiData | Q105119711 |