Carbazomycin D
| Internal ID | a1b287af-fca4-4e14-ac17-3d1ded11dbaf |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | 3,4,6-trimethoxy-1,2-dimethyl-9H-carbazole |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H19NO3/c1-9-10(2)16(20-4)17(21-5)14-12-8-11(19-3)6-7-13(12)18-15(9)14/h6-8,18H,1-5H3 |
| InChI Key | AVVRXRXZUJFTHU-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C17H19NO3 |
| Molecular Weight | 285.34 g/mol |
| Exact Mass | 285.13649347 g/mol |
| Topological Polar Surface Area (TPSA) | 43.50 Ų |
| XlogP | 4.00 |
| Atomic LogP (AlogP) | 3.96 |
| H-Bond Acceptor | 3 |
| H-Bond Donor | 1 |
| Rotatable Bonds | 3 |
| 108073-63-8 |
| 3,4,6-trimethoxy-1,2-dimethyl-9H-carbazole |
| 3,4,6-Trimethoxy-1,2-dimethylcarbazole |
| DTXSID00148370 |
| 9H-Carbazole, 3,4,6-trimethoxy-1,2-dimethyl- |
| RefChem:123502 |
| DTXCID0070861 |
| 9H-Carbazole,3,4,6-trimethoxy-1,2-dimethyl- |
| orb1984954 |
| SCHEMBL30037086 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 1.0000 | 100.00% |
| Caco-2 | + | 0.7401 | 74.01% |
| Blood Brain Barrier | + | 0.5750 | 57.50% |
| Human oral bioavailability | + | 0.5429 | 54.29% |
| Subcellular localzation | Mitochondria | 0.6805 | 68.05% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9193 | 91.93% |
| OATP1B3 inhibitior | + | 0.9644 | 96.44% |
| MATE1 inhibitior | - | 0.9400 | 94.00% |
| OCT2 inhibitior | - | 0.8500 | 85.00% |
| BSEP inhibitior | + | 0.6526 | 65.26% |
| P-glycoprotein inhibitior | - | 0.8393 | 83.93% |
| P-glycoprotein substrate | - | 0.6688 | 66.88% |
| CYP3A4 substrate | - | 0.5310 | 53.10% |
| CYP2C9 substrate | - | 0.7865 | 78.65% |
| CYP2D6 substrate | + | 0.3878 | 38.78% |
| CYP3A4 inhibition | + | 0.7750 | 77.50% |
| CYP2C9 inhibition | - | 0.6392 | 63.92% |
| CYP2C19 inhibition | + | 0.7812 | 78.12% |
| CYP2D6 inhibition | - | 0.5409 | 54.09% |
| CYP1A2 inhibition | + | 0.9615 | 96.15% |
| CYP2C8 inhibition | - | 0.6775 | 67.75% |
| CYP inhibitory promiscuity | + | 0.9225 | 92.25% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.9118 | 91.18% |
| Carcinogenicity (trinary) | Warning | 0.4620 | 46.20% |
| Eye corrosion | - | 0.9926 | 99.26% |
| Eye irritation | + | 0.7903 | 79.03% |
| Skin irritation | - | 0.8563 | 85.63% |
| Skin corrosion | - | 0.9755 | 97.55% |
| Ames mutagenesis | + | 0.7800 | 78.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.5000 | 50.00% |
| Micronuclear | + | 0.7059 | 70.59% |
| Hepatotoxicity | - | 0.5475 | 54.75% |
| skin sensitisation | - | 0.9219 | 92.19% |
| Respiratory toxicity | - | 0.6556 | 65.56% |
| Reproductive toxicity | + | 0.6111 | 61.11% |
| Mitochondrial toxicity | - | 0.5625 | 56.25% |
| Nephrotoxicity | - | 0.8523 | 85.23% |
| Acute Oral Toxicity (c) | III | 0.5597 | 55.97% |
| Estrogen receptor binding | + | 0.7758 | 77.58% |
| Androgen receptor binding | + | 0.6707 | 67.07% |
| Thyroid receptor binding | + | 0.7880 | 78.80% |
| Glucocorticoid receptor binding | + | 0.8180 | 81.80% |
| Aromatase binding | + | 0.8904 | 89.04% |
| PPAR gamma | + | 0.5876 | 58.76% |
| Honey bee toxicity | - | 0.9312 | 93.12% |
| Biodegradation | - | 0.7250 | 72.50% |
| Crustacea aquatic toxicity | + | 0.7800 | 78.00% |
| Fish aquatic toxicity | + | 0.7041 | 70.41% |
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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.28% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.75% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.86% | 95.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 92.74% | 93.31% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.41% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.90% | 94.00% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 90.84% | 93.24% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.63% | 98.75% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 88.03% | 80.96% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.30% | 90.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.05% | 91.71% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.21% | 94.80% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.95% | 96.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.56% | 98.59% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.40% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.63% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.28% | 99.15% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 81.98% | 85.49% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.16% | 85.30% |
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 | 194756 |
| LOTUS | LTS0200804 |
| wikiData | Q77369000 |