(1R,4R,9S,12S,13S)-12,13-dihydroxy-8,8-dimethyl-14-propan-2-yl-2-oxatetracyclo[10.4.0.01,4.04,9]hexadec-14-en-3-one
Internal ID | 1f0a5115-548f-45d3-8b6c-a20b6bf71d31 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
IUPAC Name | (1R,4R,9S,12S,13S)-12,13-dihydroxy-8,8-dimethyl-14-propan-2-yl-2-oxatetracyclo[10.4.0.01,4.04,9]hexadec-14-en-3-one |
SMILES (Canonical) | CC(C)C1=CCC23C4(CCCC(C4CCC2(C1O)O)(C)C)C(=O)O3 |
SMILES (Isomeric) | CC(C)C1=CC[C@@]23[C@]4(CCCC([C@@H]4CC[C@@]2([C@H]1O)O)(C)C)C(=O)O3 |
InChI | InChI=1S/C20H30O4/c1-12(2)13-6-11-20-18(16(22)24-20)9-5-8-17(3,4)14(18)7-10-19(20,23)15(13)21/h6,12,14-15,21,23H,5,7-11H2,1-4H3/t14-,15-,18-,19-,20+/m0/s1 |
InChI Key | CFDURVOYCSKERV-HVXNZKGKSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H30O4 |
Molecular Weight | 334.40 g/mol |
Exact Mass | 334.21440943 g/mol |
Topological Polar Surface Area (TPSA) | 66.80 Ų |
XlogP | 2.60 |
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 | 96.99% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.18% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 94.77% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.08% | 94.45% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.71% | 94.75% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.24% | 95.89% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.19% | 93.99% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.82% | 83.82% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.55% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.54% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.81% | 97.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.18% | 89.00% |
CHEMBL1871 | P10275 | Androgen Receptor | 83.87% | 96.43% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.70% | 90.71% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.87% | 100.00% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.36% | 93.56% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.27% | 97.14% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.24% | 93.04% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.08% | 99.23% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.08% | 96.77% |
CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.06% | 90.08% |
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.
Isodon rubescens |
PubChem | 52921236 |
LOTUS | LTS0166403 |
wikiData | Q105102407 |