19-Nor-ent-kaurane-4alpha,16beta,17-triol
Internal ID | dda587f8-89e9-4eec-be68-2a7f6ec2cfe7 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
IUPAC Name | (5R,9S,13S,14S)-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5,14-diol |
SMILES (Canonical) | CC12CCCC(C1CCC34C2CCC(C3)C(C4)(CO)O)(C)O |
SMILES (Isomeric) | C[C@@]12CCC[C@@](C1CCC34C2CC[C@@H](C3)[C@@](C4)(CO)O)(C)O |
InChI | InChI=1S/C19H32O3/c1-16-7-3-8-17(2,21)14(16)6-9-18-10-13(4-5-15(16)18)19(22,11-18)12-20/h13-15,20-22H,3-12H2,1-2H3/t13-,14?,15?,16+,17+,18?,19+/m0/s1 |
InChI Key | NICDFCNOCPZHTJ-BMZGJOJCSA-N |
Popularity | 2 references in papers |
Molecular Formula | C19H32O3 |
Molecular Weight | 308.50 g/mol |
Exact Mass | 308.23514488 g/mol |
Topological Polar Surface Area (TPSA) | 60.70 Ų |
XlogP | 2.70 |
hydroxymethyl(dimethyl)[?]diol |
19-nor-ent-kaurane-4alpha,16beta,17-triol |
19-nor-ent-Kaurane-4.alpha.,16.beta.,17-triol |
(5R,9S,13S,14S)-14-(Hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5,14-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 | 96.90% | 97.25% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.67% | 97.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.80% | 91.11% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.69% | 82.69% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.87% | 96.09% |
CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 88.41% | 100.00% |
CHEMBL240 | Q12809 | HERG | 87.32% | 89.76% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.78% | 92.62% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.69% | 90.17% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.59% | 95.50% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 83.81% | 95.93% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.27% | 96.38% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.20% | 95.89% |
CHEMBL237 | P41145 | Kappa opioid receptor | 81.95% | 98.10% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.80% | 100.00% |
CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.79% | 95.38% |
CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 80.89% | 88.81% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.56% | 94.75% |
CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 80.20% | 95.42% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.16% | 92.94% |
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.
Annona squamosa |
PubChem | 469217 |
LOTUS | LTS0219985 |
wikiData | Q105179735 |