Capsianoside D
Internal ID | 6b37b902-6f48-40e1-a615-60de4613fc83 |
Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Sophorolipids |
IUPAC Name | [2-[[6-[2-[(2Z,6E,10E)-14-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-methyloxan-4-yl] (2E,6E,10E)-14-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoate |
SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(OC(C3O)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)C)O)O)O)O)O)OC(=O)C(=CC(CC(=CCCC(=CCCC(C)(C=C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)O)C)O |
SMILES (Isomeric) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(OC(C3O)OC/C(=C\CC/C(=C/CC/C(=C/CCC(C)(C=C)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)/C)/C)/C)C)O)O)O)O)O)OC(=O)/C(=C/C(C/C(=C/CC/C(=C/CCC(C)(C=C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)/C)/C)O)/C)O |
InChI | InChI=1S/C82H134O38/c1-13-81(11,119-79-71(62(98)56(92)49(34-85)112-79)117-76-64(100)59(95)54(90)47(32-83)110-76)28-18-26-39(4)21-15-20-38(3)23-17-25-42(7)36-106-74-68(104)70(53(89)45(10)108-74)116-78-66(102)61(97)58(94)51(114-78)37-107-75-67(103)69(52(88)44(9)109-75)115-73(105)43(8)31-46(87)30-41(6)24-16-22-40(5)27-19-29-82(12,14-2)120-80-72(63(99)57(93)50(35-86)113-80)118-77-65(101)60(96)55(91)48(33-84)111-77/h13-14,20,24-27,31,44-72,74-80,83-104H,1-2,15-19,21-23,28-30,32-37H2,3-12H3/b38-20+,39-26+,40-27+,41-24+,42-25-,43-31+ |
InChI Key | BHQXDVVPOFDEHV-RPQRBYGFSA-N |
Popularity | 4 references in papers |
Molecular Formula | C82H134O38 |
Molecular Weight | 1727.90 g/mol |
Exact Mass | 1726.8553098 g/mol |
Topological Polar Surface Area (TPSA) | 601.00 Ų |
XlogP | -0.70 |
Capsianside D |
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 | 98.78% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 96.25% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.93% | 99.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.91% | 96.09% |
CHEMBL3401 | O75469 | Pregnane X receptor | 94.25% | 94.73% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 92.61% | 97.36% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.57% | 86.33% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.91% | 97.25% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.97% | 96.47% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.15% | 89.00% |
CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.71% | 98.75% |
CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 86.41% | 95.71% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.70% | 96.00% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.22% | 91.19% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.99% | 97.09% |
CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.93% | 82.50% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.40% | 93.56% |
CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 83.19% | 97.47% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.87% | 94.33% |
CHEMBL4015 | P41597 | C-C chemokine receptor type 2 | 82.33% | 98.57% |
CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.21% | 94.00% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.68% | 97.21% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.64% | 100.00% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.28% | 100.00% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.79% | 89.50% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.71% | 92.50% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.57% | 96.95% |
CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.19% | 85.00% |
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.
Capsicum annuum |
PubChem | 131751077 |
LOTUS | LTS0254355 |
wikiData | Q104396639 |