Digin
Internal ID | 44e7ebc7-783f-4bd6-93af-23ee6f0d1983 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
IUPAC Name | 5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16-diol |
SMILES (Canonical) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)O)O)C)C)C)OC1 |
SMILES (Isomeric) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)O)O)C)C)C)OC1 |
InChI | InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3 |
InChI Key | FWCXELAAYFYCSR-UHFFFAOYSA-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 |
Markogenin |
Digin |
(25R)-5.alpha.-Spirostan-2.alpha.,3.beta.-diol |
5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16-diol |
562-35-6 |
NSC-147752 |
Spirostan-2,3-diol # |
FWCXELAAYFYCSR-UHFFFAOYSA-N |
NSC147752 |
AKOS037514677 |
There are more than 10 synonyms. If you wish to see them all click here. |
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 | 97.23% | 96.09% |
CHEMBL204 | P00734 | Thrombin | 94.46% | 96.01% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 93.29% | 89.05% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.17% | 97.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.87% | 100.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.17% | 91.11% |
CHEMBL237 | P41145 | Kappa opioid receptor | 89.91% | 98.10% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.50% | 96.38% |
CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 88.73% | 97.31% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.25% | 97.25% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.91% | 82.69% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.49% | 94.45% |
CHEMBL1914 | P06276 | Butyrylcholinesterase | 86.35% | 95.00% |
CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.03% | 92.86% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.75% | 96.61% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.94% | 90.17% |
CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 84.58% | 95.58% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.90% | 95.50% |
CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.79% | 95.38% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.72% | 96.77% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.55% | 91.19% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.45% | 95.89% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.56% | 96.95% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.44% | 93.04% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.99% | 89.00% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.92% | 100.00% |
CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 80.67% | 92.78% |
CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 80.44% | 97.86% |
CHEMBL1871 | P10275 | Androgen Receptor | 80.17% | 96.43% |
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.
PubChem | 287688 |
LOTUS | LTS0193084 |
wikiData | Q105003180 |