(2S)-2-[(3R,4aS,7S,8S,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-7'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,5-dihydrofuro[2,3-f]isoindole]-6'-yl]pentanedioic acid
| Internal ID | 8eafa722-eac1-400f-bd9f-3a19d4498440 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Glutamic acid and derivatives |
| IUPAC Name | (2S)-2-[(3R,4aS,7S,8S,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-7'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,5-dihydrofuro[2,3-f]isoindole]-6'-yl]pentanedioic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H37NO8/c1-14-5-7-20-26(2,3)21(30)9-10-27(20,4)28(14)12-16-19(37-28)11-15-17(23(16)33)13-29(24(15)34)18(25(35)36)6-8-22(31)32/h11,14,18,20-21,30,33H,5-10,12-13H2,1-4H3,(H,31,32)(H,35,36)/t14-,18-,20-,21+,27-,28-/m0/s1 |
| InChI Key | XSIHIBRCLUCPAO-ZRSZAMCLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H37NO8 |
| Molecular Weight | 515.60 g/mol |
| Exact Mass | 515.25191714 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (2S)-2-[(3R,4aS,7S,8S,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-7'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,5-dihydrofuro[2,3-f]isoindole]-6'-yl]pentanedioic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2a632540-857a-11ee-a40a-43b0b99e4f78.jpg "2D Structure of (2S)-2-[(3R,4aS,7S,8S,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-7'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,5-dihydrofuro[2,3-f]isoindole]-6'-yl]pentanedioic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.66% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.60% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.49% | 91.11% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.19% | 95.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.94% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.00% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.34% | 93.40% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.08% | 97.25% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.49% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.27% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.96% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.79% | 93.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.43% | 95.56% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 85.24% | 90.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.65% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.77% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.57% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.54% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.49% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.30% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.44% | 82.69% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.40% | 93.56% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.03% | 85.11% |
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.
| There are no matching plants. |
| PubChem | 163049012 |
| LOTUS | LTS0095463 |
| wikiData | Q105341034 |