17-Hydroxy-10-(hydroxymethyl)-6,10,14,15,21,21-hexamethyl-9-(3,4,5-trihydroxyoxan-2-yl)oxy-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one
Internal ID | 02d3d383-b406-40ed-bfb1-536124a8f476 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
IUPAC Name | 17-hydroxy-10-(hydroxymethyl)-6,10,14,15,21,21-hexamethyl-9-(3,4,5-trihydroxyoxan-2-yl)oxy-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one |
SMILES (Canonical) | CC1(CCC23C(C1)C4(C5C(O5)C6C7(CCC(C(C7CCC6(C4(CC2O)C)C)(C)CO)OC8C(C(C(CO8)O)O)O)C)OC3=O)C |
SMILES (Isomeric) | CC1(CCC23C(C1)C4(C5C(O5)C6C7(CCC(C(C7CCC6(C4(CC2O)C)C)(C)CO)OC8C(C(C(CO8)O)O)O)C)OC3=O)C |
InChI | InChI=1S/C35H54O10/c1-29(2)11-12-34-19(13-29)35(45-28(34)41)26-24(44-26)25-30(3)9-8-21(43-27-23(40)22(39)17(37)15-42-27)31(4,16-36)18(30)7-10-32(25,5)33(35,6)14-20(34)38/h17-27,36-40H,7-16H2,1-6H3 |
InChI Key | KPDWRBIMRAFVNS-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C35H54O10 |
Molecular Weight | 634.80 g/mol |
Exact Mass | 634.37169792 g/mol |
Topological Polar Surface Area (TPSA) | 158.00 Ų |
XlogP | 2.70 |
There are no found synonyms. |
![2D Structure of 17-Hydroxy-10-(hydroxymethyl)-6,10,14,15,21,21-hexamethyl-9-(3,4,5-trihydroxyoxan-2-yl)oxy-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one 2D Structure of 17-Hydroxy-10-(hydroxymethyl)-6,10,14,15,21,21-hexamethyl-9-(3,4,5-trihydroxyoxan-2-yl)oxy-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one](https://plantaedb.com/storage/docs/compounds/2023/11/edd16b30-866b-11ee-ab34-e1ebd208e05a.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 | 93.19% | 97.25% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.12% | 97.09% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 92.50% | 95.17% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.95% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.81% | 96.09% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.52% | 91.07% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.08% | 94.45% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.46% | 82.69% |
CHEMBL2581 | P07339 | Cathepsin D | 85.20% | 98.95% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.16% | 97.14% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.15% | 95.56% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.14% | 95.89% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.96% | 96.38% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.95% | 89.00% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 83.78% | 97.36% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.37% | 100.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.29% | 86.33% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.03% | 94.00% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.88% | 94.75% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.11% | 92.62% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.99% | 96.77% |
CHEMBL1871 | P10275 | Androgen Receptor | 81.54% | 96.43% |
CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 80.06% | 92.78% |
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.
Caulophyllum thalictroides |
PubChem | 56663824 |
LOTUS | LTS0195931 |
wikiData | Q105144136 |