Spirost-5-en-3,17-diol
| Internal ID | 3cc76124-a1ca-4555-a3a4-d20afa4f6648 |
| 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]icos-18-ene-6,2'-oxane]-8,16-diol |
| SMILES (Canonical) | CC1CCC2(C(C3(C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)O)C)OC1 |
| SMILES (Isomeric) | CC1CCC2(C(C3(C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)O)C)OC1 |
| InChI | InChI=1S/C27H42O4/c1-16-7-12-26(30-15-16)17(2)27(29)23(31-26)14-22-20-6-5-18-13-19(28)8-10-24(18,3)21(20)9-11-25(22,27)4/h5,16-17,19-23,28-29H,6-15H2,1-4H3 |
| InChI Key | SYYHBUHOUUETMI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H42O4 |
| Molecular Weight | 430.60 g/mol |
| Exact Mass | 430.30830982 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 4.40 |
| SYYHBUHOUUETMI-UHFFFAOYSA-N |
| 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 | 96.29% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 93.99% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.90% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.87% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.69% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.09% | 95.93% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 88.92% | 95.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.95% | 96.95% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.50% | 89.05% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.38% | 82.69% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.66% | 93.56% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.22% | 97.28% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.04% | 89.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.01% | 94.08% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.58% | 96.39% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.51% | 93.04% |
| CHEMBL238 | Q01959 | Dopamine transporter | 80.45% | 95.88% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.45% | 95.89% |
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.
| Dioscorea bulbifera |
| Dioscorea composita |
| Dracaena cambodiana |
| Paris polyphylla var. chinensis |
| Polygonatum stenophyllum |
| PubChem | 581098 |
| LOTUS | LTS0078842 |
| wikiData | Q105263871 |