Cannigenin
Internal ID | 6173397d-2189-48b4-885d-30be44411c3b |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
IUPAC Name | (1S,2S,4S,5'R,7S,8R,9S,12S,13S,14R,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,16-diol |
SMILES (Canonical) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(C(CC(C6)O)O)C)C)C)OC1 |
SMILES (Isomeric) | C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5([C@@H](C[C@H](C6)O)O)C)C)C)OC1 |
InChI | InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,23-,24+,25+,26+,27?/m1/s1 |
InChI Key | NCLLSOCDVMFDSK-NDFNDBBUSA-N |
Popularity | 0 references in papers |
Molecular Formula | C27H44O4 |
Molecular Weight | 432.60 g/mol |
Exact Mass | 432.32395988 g/mol |
Topological Polar Surface Area (TPSA) | 58.90 Ų |
XlogP | 5.50 |
61117-39-3 |
Spirostan-1,3-diol, (1beta,3alpha,5alpha,25R)- |
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 | 94.12% | 96.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.62% | 100.00% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 91.87% | 89.05% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.85% | 97.09% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.69% | 82.69% |
CHEMBL237 | P41145 | Kappa opioid receptor | 88.34% | 98.10% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.55% | 96.38% |
CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 86.41% | 97.31% |
CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 86.27% | 98.99% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.86% | 92.94% |
CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.99% | 95.38% |
CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.97% | 92.86% |
CHEMBL204 | P00734 | Thrombin | 82.85% | 96.01% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.75% | 93.04% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.73% | 96.77% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.28% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.23% | 94.45% |
CHEMBL233 | P35372 | Mu opioid receptor | 82.14% | 97.93% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.96% | 97.28% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.69% | 95.50% |
CHEMBL1914 | P06276 | Butyrylcholinesterase | 81.52% | 95.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.99% | 95.89% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.78% | 90.17% |
CHEMBL1871 | P10275 | Androgen Receptor | 80.66% | 96.43% |
CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 80.40% | 97.86% |
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.
Chamaedorea elegans |
Cordyline australis |
Cordyline rubra |
Cordyline stricta |
PubChem | 182281 |
LOTUS | LTS0105041 |
wikiData | Q105177253 |