Nodulisporic acid D1
| Internal ID | cc5833ac-7ab6-4a5a-a4ec-9906f7d61f2b |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (E)-3-[(2S,3S,6S,8S,10S,11R,14S,25S)-6-hydroxy-2,3,10,22,22,24,24-heptamethyl-7,23-dioxa-30-azaoctacyclo[14.14.0.02,14.03,11.06,10.017,29.019,27.020,25]triaconta-1(16),17(29),18,20,27-pentaen-8-yl]-2-methylprop-2-enoic acid |
| SMILES (Canonical) | CC(=CC1CC2(C3CCC4CC5=C(C4(C3(CCC2(O1)O)C)C)NC6=C5C=C7C(=C6)CC8C7=CC(OC8(C)C)(C)C)C)C(=O)O |
| SMILES (Isomeric) | C/C(=C\[C@@H]1C[C@]2([C@@H]3CC[C@H]4CC5=C([C@@]4([C@]3(CC[C@@]2(O1)O)C)C)NC6=C5C=C7C(=C6)C[C@H]8C7=CC(OC8(C)C)(C)C)C)/C(=O)O |
| InChI | InChI=1S/C38H49NO5/c1-20(32(40)41)13-23-18-36(7)30-10-9-22-16-26-25-17-24-21(14-28-27(24)19-33(2,3)44-34(28,4)5)15-29(25)39-31(26)37(22,8)35(30,6)11-12-38(36,42)43-23/h13,15,17,19,22-23,28,30,39,42H,9-12,14,16,18H2,1-8H3,(H,40,41)/b20-13+/t22-,23+,28-,30+,35-,36-,37+,38-/m0/s1 |
| InChI Key | NEINCGYMLGLOMN-GXZGSLQHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C38H49NO5 |
| Molecular Weight | 599.80 g/mol |
| Exact Mass | 599.36107366 g/mol |
| Topological Polar Surface Area (TPSA) | 91.80 Ų |
| XlogP | 6.50 |
| CHEMBL451879 |
| 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 | 98.85% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.06% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.28% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.12% | 94.80% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 93.99% | 95.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.92% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.95% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.81% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.00% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.32% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.96% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.49% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.34% | 98.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.44% | 94.62% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 87.32% | 90.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.19% | 94.75% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.57% | 89.05% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.89% | 97.28% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 84.99% | 91.79% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.81% | 93.04% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.54% | 91.49% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.28% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.66% | 86.33% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 82.98% | 97.31% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.62% | 99.23% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.16% | 97.50% |
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 | 11753691 |
| LOTUS | LTS0082977 |
| wikiData | Q75062982 |