Penerpene A
| Internal ID | 61efa03b-b755-4ff6-a6a1-87426fa4bef7 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids |
| IUPAC Name | (3'aS,3'bR,4R,5'aS,7'R,9'bS,11'aS)-9'b-hydroxy-7'-(2-hydroxypropan-2-yl)-3'a,3'b-dimethylspiro[1,2-dihydro-3,1-benzoxazine-4,2'-4,5,5a,10,11,11a-hexahydro-1H-indeno[6,7-f]chromene]-3',8'-dione |
| SMILES (Canonical) | CC12CCC3C(=CC(=O)C(O3)C(C)(C)O)C1(CCC4C2(C(=O)C5(C4)C6=CC=CC=C6NCO5)C)O |
| SMILES (Isomeric) | C[C@]12CC[C@H]3C(=CC(=O)[C@H](O3)C(C)(C)O)[C@@]1(CC[C@@H]4[C@@]2(C(=O)[C@@]5(C4)C6=CC=CC=C6NCO5)C)O |
| InChI | InChI=1S/C28H35NO6/c1-24(2,32)22-20(30)13-18-21(35-22)10-11-25(3)26(4)16(9-12-28(18,25)33)14-27(23(26)31)17-7-5-6-8-19(17)29-15-34-27/h5-8,13,16,21-22,29,32-33H,9-12,14-15H2,1-4H3/t16-,21-,22-,25+,26+,27+,28+/m0/s1 |
| InChI Key | LPWZGPBWXQYPSN-IHBLZFHVSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H35NO6 |
| Molecular Weight | 481.60 g/mol |
| Exact Mass | 481.24643784 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 2.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.74% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.53% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.28% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.56% | 98.95% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 93.49% | 94.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.41% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.18% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.23% | 99.23% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 91.10% | 92.97% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.49% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.32% | 82.69% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.92% | 94.62% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.03% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.98% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.43% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.86% | 91.07% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.80% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.57% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.05% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.59% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.46% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.35% | 90.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.23% | 96.39% |
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 | 146683210 |
| LOTUS | LTS0071904 |
| wikiData | Q105155382 |