seco-pseudopterosin H
| Internal ID | a65099f7-ab80-4748-935d-0be7307077f2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Biflorane and serrulatane diterpenoids |
| IUPAC Name | [(3R,4S,5S,6R)-4,5-dihydroxy-6-[[(5R,8S)-1-hydroxy-3,8-dimethyl-5-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]oxan-3-yl] acetate |
| SMILES (Canonical) | CC1CCC(C2=C1C(=C(C(=C2)C)OC3C(C(C(CO3)OC(=O)C)O)O)O)C(C)CCC=C(C)C |
| SMILES (Isomeric) | C[C@H]1CC[C@@H](C2=C1C(=C(C(=C2)C)O[C@@H]3[C@H]([C@@H]([C@@H](CO3)OC(=O)C)O)O)O)[C@@H](C)CCC=C(C)C |
| InChI | InChI=1S/C27H40O7/c1-14(2)8-7-9-15(3)19-11-10-16(4)22-20(19)12-17(5)26(24(22)30)34-27-25(31)23(29)21(13-32-27)33-18(6)28/h8,12,15-16,19,21,23,25,27,29-31H,7,9-11,13H2,1-6H3/t15-,16-,19+,21+,23+,25-,27+/m0/s1 |
| InChI Key | PBEGRWWDFRSYRG-XFXONPQASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H40O7 |
| Molecular Weight | 476.60 g/mol |
| Exact Mass | 476.27740361 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 5.20 |
| CHEMBL489131 |
| 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 | 99.14% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.24% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.31% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.95% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.51% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.07% | 99.17% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 89.73% | 93.18% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.46% | 90.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.81% | 96.47% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.95% | 95.89% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 87.41% | 91.24% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.74% | 90.24% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.42% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.98% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.55% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.87% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.84% | 89.62% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.28% | 94.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.92% | 94.80% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.60% | 99.18% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.54% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.04% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.03% | 95.56% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.57% | 93.10% |
| CHEMBL5028 | O14672 | ADAM10 | 80.41% | 97.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.17% | 96.00% |
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.
| Allium ampeloprasum |
| Allium fistulosum |
| PubChem | 11477080 |
| LOTUS | LTS0179162 |
| wikiData | Q104908257 |