Karavilagenin D
Internal ID | 9dfbbf3e-9caa-4bb0-88e7-58e803b1c963 |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cucurbitacins |
IUPAC Name | (1R,4S,5S,8R,9R,12S,13S,16S)-16-hydroxy-8-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-19-one |
SMILES (Canonical) | CC(CC=CC(C)(C)O)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)O)OC4=O)C)C |
SMILES (Isomeric) | C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2C=C[C@]5([C@H]3CC[C@@H](C5(C)C)O)OC4=O)C)C |
InChI | InChI=1S/C30H46O4/c1-19(9-8-14-25(2,3)33)20-12-15-28(7)21-13-16-30-22(10-11-23(31)26(30,4)5)29(21,24(32)34-30)18-17-27(20,28)6/h8,13-14,16,19-23,31,33H,9-12,15,17-18H2,1-7H3/b14-8+/t19-,20-,21+,22+,23+,27-,28+,29+,30-/m1/s1 |
InChI Key | CUJVAMKVNDHSSR-DLGSBZDHSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H46O4 |
Molecular Weight | 470.70 g/mol |
Exact Mass | 470.33960994 g/mol |
Topological Polar Surface Area (TPSA) | 66.80 Ų |
XlogP | 5.90 |
934739-29-4 |
AKOS040761944 |
FS-9172 |
HY-111070 |
CS-0034148 |
(1R,4S,5S,8R,9R,12S,13S,16S)-16-hydroxy-8-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-19-one |
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 | 97.77% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 97.52% | 98.95% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.91% | 97.25% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.50% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.24% | 95.56% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.36% | 94.45% |
CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 89.98% | 85.31% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.88% | 95.89% |
CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 88.55% | 92.88% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.53% | 96.77% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.50% | 97.09% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.39% | 100.00% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.34% | 91.07% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 82.91% | 97.79% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.89% | 89.00% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.81% | 89.34% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.40% | 100.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.82% | 100.00% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.80% | 93.00% |
CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.28% | 97.50% |
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 | 57330179 |
LOTUS | LTS0139757 |
wikiData | Q104970316 |