7-methoxy-17-(6-methoxy-6-methylhept-4-en-2-yl)-4,4,13,14-tetramethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
Internal ID | 2af174ec-ec66-46ae-b9fe-e842a843c69f |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides > Steroidal saponins > Cucurbitacin glycosides |
IUPAC Name | 7-methoxy-17-(6-methoxy-6-methylhept-4-en-2-yl)-4,4,13,14-tetramethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde |
SMILES (Canonical) | CC(CC=CC(C)(C)OC)C1CCC2(C1(CCC3(C2C(C=C4C3CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)OC)C=O)C)C |
SMILES (Isomeric) | CC(CC=CC(C)(C)OC)C1CCC2(C1(CCC3(C2C(C=C4C3CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)OC)C=O)C)C |
InChI | InChI=1S/C38H62O9/c1-22(11-10-15-34(2,3)45-9)23-14-16-37(7)32-26(44-8)19-25-24(38(32,21-40)18-17-36(23,37)6)12-13-28(35(25,4)5)47-33-31(43)30(42)29(41)27(20-39)46-33/h10,15,19,21-24,26-33,39,41-43H,11-14,16-18,20H2,1-9H3 |
InChI Key | CHJLMGVNNACJNJ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C38H62O9 |
Molecular Weight | 662.90 g/mol |
Exact Mass | 662.43938355 g/mol |
Topological Polar Surface Area (TPSA) | 135.00 Ų |
XlogP | 4.20 |
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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.05% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.34% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.58% | 95.56% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.06% | 97.25% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.60% | 96.61% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.09% | 95.89% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.23% | 97.09% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 89.09% | 97.36% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.68% | 91.07% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.16% | 94.45% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.06% | 86.33% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.99% | 97.14% |
CHEMBL2581 | P07339 | Cathepsin D | 85.61% | 98.95% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.18% | 97.28% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.11% | 100.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.64% | 89.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.51% | 100.00% |
CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 83.45% | 97.88% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.72% | 92.62% |
CHEMBL5028 | O14672 | ADAM10 | 81.13% | 97.50% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.07% | 90.00% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.83% | 96.00% |
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.
Momordica charantia |
PubChem | 74071278 |
LOTUS | LTS0129705 |
wikiData | Q104958879 |