Terpendole J
| Internal ID | e169c093-c2aa-4441-828c-50311f8d78dd |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | (1S,2R,5S,7S,8R,9R,11S,12S,15S)-1,2-dimethyl-7-[2-(3-methylbut-2-enoxy)propan-2-yl]-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18,20,22-tetraene-8,12-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H43NO5/c1-18(2)13-16-36-28(3,4)26-24(34)27-32(38-27)23(37-26)12-14-29(5)30(6)19(11-15-31(29,32)35)17-21-20-9-7-8-10-22(20)33-25(21)30/h7-10,13,19,23-24,26-27,33-35H,11-12,14-17H2,1-6H3/t19-,23-,24+,26-,27+,29+,30+,31-,32-/m0/s1 |
| InChI Key | GLVMTITYOKYZRQ-JSVBYLJXSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C32H43NO5 |
| Molecular Weight | 521.70 g/mol |
| Exact Mass | 521.31412347 g/mol |
| Topological Polar Surface Area (TPSA) | 87.20 Ų |
| XlogP | 4.50 |
| SCHEMBL20869802 |
| CHEBI:66209 |
| C20545 |
| Q27134747 |
| (1S,2R,5S,7S,8R,9R,11S,12S,15S)-1,2-dimethyl-7-[2-(3-methylbut-2-enoxy)propan-2-yl]-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18,20,22-tetraene-8,12-diol |
| (2S,3R,3aR,4aS,4bS,6aS,12bS,12cR,14aS)-12b,12c-dimethyl-2-{2-[(3-methylbut-2-en-1-yl)oxy]propan-2-yl}-3,3a,5,6,6a,7,12,12b,12c,13,14,14a-dodecahydro-2H,4bH-oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indole-3,4b-diol |
| 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 | 99.22% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.77% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.27% | 94.45% |
| CHEMBL240 | Q12809 | HERG | 97.04% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.80% | 96.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 95.17% | 98.59% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 94.61% | 94.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.30% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.76% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.56% | 89.00% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 92.03% | 94.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.73% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.14% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.76% | 95.89% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 88.06% | 88.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.40% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.52% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.41% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.97% | 86.33% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 83.91% | 97.31% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.17% | 94.08% |
| CHEMBL5028 | O14672 | ADAM10 | 83.13% | 97.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.92% | 94.75% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 82.77% | 85.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.24% | 98.75% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.11% | 97.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.91% | 97.14% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.62% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.38% | 94.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.21% | 97.05% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.01% | 97.93% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.96% | 90.08% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.95% | 100.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.40% | 100.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.35% | 91.71% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 80.25% | 85.83% |
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 | 9984208 |
| LOTUS | LTS0181422 |
| wikiData | Q27134747 |