2-(1-Hydroxyheptyl)-2,3,4,4a,5,6,7,8-octahydrochromene-5,8,8a-triol
| Internal ID | f4ce9836-03ed-4bde-a6de-d9bb3bb679b5 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans |
| IUPAC Name | 2-(1-hydroxyheptyl)-2,3,4,4a,5,6,7,8-octahydrochromene-5,8,8a-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H30O5/c1-2-3-4-5-6-13(18)14-9-7-11-12(17)8-10-15(19)16(11,20)21-14/h11-15,17-20H,2-10H2,1H3 |
| InChI Key | PLZAVOYXRMPNBF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H30O5 |
| Molecular Weight | 302.41 g/mol |
| Exact Mass | 302.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 90.20 Ų |
| XlogP | 1.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 97.36% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.59% | 96.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 94.07% | 98.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.33% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.85% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.49% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.26% | 97.25% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.73% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.09% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.73% | 89.63% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.10% | 96.61% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.43% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.16% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.90% | 92.88% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 86.77% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.69% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 86.47% | 85.94% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.33% | 91.81% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.91% | 95.50% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.75% | 93.31% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 85.00% | 90.24% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.21% | 95.93% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.98% | 92.08% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.62% | 99.18% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.91% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.81% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.52% | 95.89% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.05% | 96.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.41% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.98% | 90.17% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.71% | 97.50% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.26% | 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.
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| There are no matching plants. |
| PubChem | 85257370 |
| LOTUS | LTS0046253 |
| wikiData | Q104194993 |