7-Ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-8a,9-diol
Internal ID | 1cf2e68a-1c11-4162-bfc5-a03362950927 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
IUPAC Name | 7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-8a,9-diol |
SMILES (Canonical) | CC1(CCC2C3(CCCC(C3CC(C2(C1)O)O)(C)CO)C)C=C |
SMILES (Isomeric) | CC1(CCC2C3(CCCC(C3CC(C2(C1)O)O)(C)CO)C)C=C |
InChI | InChI=1S/C20H34O3/c1-5-17(2)10-7-14-19(4)9-6-8-18(3,13-21)15(19)11-16(22)20(14,23)12-17/h5,14-16,21-23H,1,6-13H2,2-4H3 |
InChI Key | BMDMNNSUERKJDK-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H34O3 |
Molecular Weight | 322.50 g/mol |
Exact Mass | 322.25079494 g/mol |
Topological Polar Surface Area (TPSA) | 60.70 Ų |
XlogP | 3.80 |
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 | 94.83% | 97.25% |
CHEMBL233 | P35372 | Mu opioid receptor | 92.82% | 97.93% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.05% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.38% | 97.09% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.16% | 95.50% |
CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 88.45% | 95.58% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 87.92% | 95.93% |
CHEMBL237 | P41145 | Kappa opioid receptor | 86.90% | 98.10% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.88% | 96.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.33% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.11% | 94.45% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.82% | 95.89% |
CHEMBL206 | P03372 | Estrogen receptor alpha | 85.59% | 97.64% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.55% | 100.00% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.30% | 97.05% |
CHEMBL1977 | P11473 | Vitamin D receptor | 83.06% | 99.43% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.37% | 96.61% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.80% | 94.75% |
CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.39% | 92.86% |
CHEMBL2581 | P07339 | Cathepsin D | 81.10% | 98.95% |
CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 80.82% | 99.29% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.42% | 82.69% |
CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.04% | 100.00% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.01% | 90.17% |
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.
Vellozia compacta |
PubChem | 14192409 |
LOTUS | LTS0219498 |
wikiData | Q103816854 |