9-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-(hydroxymethyl)-6,10,14,15,21,21-hexamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one
Internal ID | 5f8ef125-dfef-4647-9d5e-88d0b7f34150 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
IUPAC Name | 9-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-(hydroxymethyl)-6,10,14,15,21,21-hexamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one |
SMILES (Canonical) | CC1(CCC23CCC4(C5(CCC6C(C5C7C(C4(C2C1)OC3=O)O7)(CCC(C6(C)CO)OC8C(C(C(CO8)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)C |
SMILES (Isomeric) | CC1(CCC23CCC4(C5(CCC6C(C5C7C(C4(C2C1)OC3=O)O7)(CCC(C6(C)CO)OC8C(C(C(CO8)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)C |
InChI | InChI=1S/C41H64O14/c1-35(2)11-13-40-14-12-39(6)38(5)10-7-21-36(3,30(38)29-31(53-29)41(39,22(40)15-35)55-34(40)49)9-8-23(37(21,4)18-43)52-33-28(24(45)19(44)17-50-33)54-32-27(48)26(47)25(46)20(16-42)51-32/h19-33,42-48H,7-18H2,1-6H3 |
InChI Key | GFYIXACGDHOCTI-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C41H64O14 |
Molecular Weight | 780.90 g/mol |
Exact Mass | 780.42960671 g/mol |
Topological Polar Surface Area (TPSA) | 217.00 Ų |
XlogP | 2.10 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.33% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.31% | 97.09% |
CHEMBL220 | P22303 | Acetylcholinesterase | 92.99% | 94.45% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.97% | 97.25% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.16% | 94.45% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 89.83% | 97.36% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.57% | 96.61% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.43% | 96.09% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.14% | 91.07% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.04% | 94.75% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.10% | 89.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.82% | 95.89% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.43% | 95.50% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.71% | 86.92% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.58% | 94.00% |
CHEMBL2581 | P07339 | Cathepsin D | 84.30% | 98.95% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.25% | 97.14% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.42% | 95.17% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.37% | 94.33% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.32% | 86.33% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.13% | 95.71% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.04% | 92.62% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.98% | 95.56% |
CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 81.74% | 92.78% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.60% | 82.69% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.21% | 100.00% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.76% | 96.38% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.73% | 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.
Beilschmiedia zenkeri |
Caulophyllum thalictroides |
Piper attenuatum |
Piper longum |
Piper nigrum |
Piper pedicellatum |
Piper retrofractum |
Piper sarmentosum |
PubChem | 56671304 |
LOTUS | LTS0071256 |
wikiData | Q104389500 |