Viridenomycin
| Internal ID | c1ee0efe-ec08-475f-ac8c-2b0fdfe51302 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | (4E,6E,8E,10Z,16Z,18Z,20E,22E,24R,25S,26R)-25,27-dihydroxy-26-methoxy-4,24-dimethyl-13-phenyl-3-oxa-14-azabicyclo[22.3.0]heptacosa-1(27),4,6,8,10,16,18,20,22-nonaene-2,15-dione |
| SMILES (Canonical) | CC1=CC=CC=CC=CCC(NC(=O)C=CC=CC=CC=CC2(C(C(C(=C2C(=O)O1)O)OC)O)C)C3=CC=CC=C3 |
| SMILES (Isomeric) | C/C/1=C\C=C\C=C\C=C/CC(NC(=O)/C=C\C=C/C=C/C=C/[C@]2([C@@H]([C@H](C(=C2C(=O)O1)O)OC)O)C)C3=CC=CC=C3 |
| InChI | InChI=1S/C34H37NO6/c1-25-19-13-8-4-5-9-16-22-27(26-20-14-12-15-21-26)35-28(36)23-17-10-6-7-11-18-24-34(2)29(33(39)41-25)30(37)31(40-3)32(34)38/h4-21,23-24,27,31-32,37-38H,22H2,1-3H3,(H,35,36)/b5-4+,10-6-,11-7+,13-8+,16-9-,23-17-,24-18+,25-19+/t27?,31-,32+,34+/m0/s1 |
| InChI Key | GWYPHKYSRIAIBU-KGZNJIQESA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C34H37NO6 |
| Molecular Weight | 555.70 g/mol |
| Exact Mass | 555.26208790 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 6.90 |
| Atomic LogP (AlogP) | 5.80 |
| H-Bond Acceptor | 6 |
| H-Bond Donor | 3 |
| Rotatable Bonds | 2 |
| Viridinomycin |
| 56509-88-7 |
| ROF8L540EA |
| AL-081 |
| (4E,6E,8E,10Z,16Z,18Z,20E,22E,24R,25S,26R)-25,27-dihydroxy-26-methoxy-4,24-dimethyl-13-phenyl-3-oxa-14-azabicyclo[22.3.0]heptacosa-1(27),4,6,8,10,16,18,20,22-nonaene-2,15-dione |
| (4E,6E,8E,10Z,16Z,18Z,20E,22E,24R,25S,26R)-25,27-dihydroxy-26-methoxy-4,24-dimethyl-13-phenyl-3-oxa-14-azabicyclo(22.3.0)heptacosa-1(27),4,6,8,10,16,18,20,22-nonaene-2,15-dione |
| RefChem:194444 |
| AL081 |
| Antibiotic T-24146 |
| UNII-ROF8L540EA |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9563 | 95.63% |
| Caco-2 | - | 0.8020 | 80.20% |
| Blood Brain Barrier | - | 0.6000 | 60.00% |
| Human oral bioavailability | - | 0.6286 | 62.86% |
| Subcellular localzation | Mitochondria | 0.4225 | 42.25% |
| OATP2B1 inhibitior | - | 0.8589 | 85.89% |
| OATP1B1 inhibitior | + | 0.8164 | 81.64% |
| OATP1B3 inhibitior | + | 0.9334 | 93.34% |
| MATE1 inhibitior | - | 0.9600 | 96.00% |
| OCT2 inhibitior | - | 0.9750 | 97.50% |
| BSEP inhibitior | + | 0.9886 | 98.86% |
| P-glycoprotein inhibitior | + | 0.8037 | 80.37% |
| P-glycoprotein substrate | - | 0.5743 | 57.43% |
| CYP3A4 substrate | + | 0.6968 | 69.68% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | - | 0.8748 | 87.48% |
| CYP3A4 inhibition | - | 0.9198 | 91.98% |
| CYP2C9 inhibition | - | 0.8200 | 82.00% |
| CYP2C19 inhibition | - | 0.8736 | 87.36% |
| CYP2D6 inhibition | - | 0.9156 | 91.56% |
| CYP1A2 inhibition | - | 0.9151 | 91.51% |
| CYP2C8 inhibition | + | 0.7528 | 75.28% |
| CYP inhibitory promiscuity | - | 0.8618 | 86.18% |
| UGT catelyzed | + | 0.8000 | 80.00% |
| Carcinogenicity (binary) | - | 0.8700 | 87.00% |
| Carcinogenicity (trinary) | Danger | 0.4567 | 45.67% |
| Eye corrosion | - | 0.9870 | 98.70% |
| Eye irritation | - | 0.9399 | 93.99% |
| Skin irritation | - | 0.7602 | 76.02% |
| Skin corrosion | - | 0.9394 | 93.94% |
| Ames mutagenesis | - | 0.5400 | 54.00% |
| Human Ether-a-go-go-Related Gene inhibition | + | 0.9009 | 90.09% |
| Micronuclear | + | 0.7100 | 71.00% |
| Hepatotoxicity | + | 0.5536 | 55.36% |
| skin sensitisation | - | 0.8511 | 85.11% |
| Respiratory toxicity | + | 0.8000 | 80.00% |
| Reproductive toxicity | + | 0.7667 | 76.67% |
| Mitochondrial toxicity | + | 0.7875 | 78.75% |
| Nephrotoxicity | + | 0.7171 | 71.71% |
| Acute Oral Toxicity (c) | III | 0.5037 | 50.37% |
| Estrogen receptor binding | + | 0.7422 | 74.22% |
| Androgen receptor binding | + | 0.5617 | 56.17% |
| Thyroid receptor binding | + | 0.6949 | 69.49% |
| Glucocorticoid receptor binding | + | 0.7370 | 73.70% |
| Aromatase binding | - | 0.5141 | 51.41% |
| PPAR gamma | + | 0.7654 | 76.54% |
| Honey bee toxicity | - | 0.7517 | 75.17% |
| Biodegradation | - | 0.9250 | 92.50% |
| Crustacea aquatic toxicity | - | 0.5700 | 57.00% |
| Fish aquatic toxicity | - | 0.3856 | 38.56% |
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 | 98.78% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.59% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.75% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.87% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.49% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.29% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.25% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.59% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.16% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.94% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.55% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.47% | 94.45% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.09% | 94.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.52% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.93% | 94.73% |
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.
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| There are no matching plants. |
| PubChem | 54686463 |
| LOTUS | LTS0094806 |
| wikiData | Q27288222 |