(1S,2R,5R,7S,8R,12R,15S,16R,17R)-17-hydroxy-2,7,15-trimethyl-13-oxapentacyclo[9.7.0.02,8.05,7.012,16]octadec-10-en-14-one
Internal ID | 9707275b-c7f8-44e1-a362-63922fad7f53 |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones |
IUPAC Name | (1S,2R,5R,7S,8R,12R,15S,16R,17R)-17-hydroxy-2,7,15-trimethyl-13-oxapentacyclo[9.7.0.02,8.05,7.012,16]octadec-10-en-14-one |
SMILES (Canonical) | CC1C2C(CC3C(=CCC4C3(CCC5C4(C5)C)C)C2OC1=O)O |
SMILES (Isomeric) | C[C@H]1[C@@H]2[C@@H](C[C@@H]3C(=CC[C@H]4[C@]3(CC[C@H]5[C@@]4(C5)C)C)[C@@H]2OC1=O)O |
InChI | InChI=1S/C20H28O3/c1-10-16-14(21)8-13-12(17(16)23-18(10)22)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h4,10-11,13-17,21H,5-9H2,1-3H3/t10-,11+,13+,14+,15-,16+,17-,19-,20-/m0/s1 |
InChI Key | LOUSOANLLAIPSC-YEVRNYFWSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H28O3 |
Molecular Weight | 316.40 g/mol |
Exact Mass | 316.20384475 g/mol |
Topological Polar Surface Area (TPSA) | 46.50 Ų |
XlogP | 3.50 |
There are no found synonyms. |
![2D Structure of (1S,2R,5R,7S,8R,12R,15S,16R,17R)-17-hydroxy-2,7,15-trimethyl-13-oxapentacyclo[9.7.0.02,8.05,7.012,16]octadec-10-en-14-one 2D Structure of (1S,2R,5R,7S,8R,12R,15S,16R,17R)-17-hydroxy-2,7,15-trimethyl-13-oxapentacyclo[9.7.0.02,8.05,7.012,16]octadec-10-en-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/4bfbf610-85b2-11ee-8dea-d1ef6c06f3f0.jpg)
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 | 97.07% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.62% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.60% | 97.09% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.82% | 82.69% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.10% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.01% | 95.56% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.23% | 100.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.64% | 89.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.63% | 95.89% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.00% | 97.14% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.90% | 99.23% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.74% | 86.33% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.00% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 81.80% | 98.95% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.34% | 93.04% |
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.
Achillea abrotanoides |
Echinophora tenuifolia |
Euphorbia retusa |
Stevia rebaudiana |
PubChem | 162888511 |
LOTUS | LTS0131967 |
wikiData | Q105322475 |