Menadione
| Internal ID | 35adf6d2-63bb-4797-9dd6-71c4ba8b8488 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 2-methylnaphthalene-1,4-dione |
| SMILES (Canonical) | CC1=CC(=O)C2=CC=CC=C2C1=O |
| SMILES (Isomeric) | CC1=CC(=O)C2=CC=CC=C2C1=O |
| InChI | InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3 |
| InChI Key | MJVAVZPDRWSRRC-UHFFFAOYSA-N |
| Popularity | 7,064 references in papers |
| Molecular Formula | C11H8O2 |
| Molecular Weight | 172.18 g/mol |
| Exact Mass | 172.052429494 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 2.20 |
| 58-27-5 |
| Vitamin K3 |
| 2-Methyl-1,4-naphthoquinone |
| 2-methylnaphthalene-1,4-dione |
| Menaphthone |
| Kayquinone |
| 2-Methylnaphthoquinone |
| Thyloquinone |
| Kappaxin |
| Kayklot |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] |
39810.7 nM |
Potency |
via CMAUP
|
| CHEMBL3577 | P00352 | Aldehyde dehydrogenase 1A1 |
11220.2 nM 14125.4 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL3257 | Q06278 | Aldehyde oxidase |
200 nM |
IC50 |
PMID: 20853847
|
| CHEMBL1293237 | P54132 | Bloom syndrome protein |
17782.8 nM |
Potency |
via CMAUP
|
| CHEMBL4096 | P04637 | Cellular tumor antigen p53 |
12589.3 nM 10000 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL3356 | P05177 | Cytochrome P450 1A2 |
158.49 nM |
AC50 |
via CMAUP
|
| CHEMBL3622 | P33261 | Cytochrome P450 2C19 |
2511.89 nM |
AC50 |
via CMAUP
|
| CHEMBL3397 | P11712 | Cytochrome P450 2C9 |
6309.57 nM |
AC50 |
via CMAUP
|
| CHEMBL289 | P10635 | Cytochrome P450 2D6 |
7943.28 nM |
AC50 |
via CMAUP
|
| CHEMBL340 | P08684 | Cytochrome P450 3A4 |
39810.7 nM 39810.7 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL4804 | P30305 | Dual specificity phosphatase Cdc25B |
2200 nM 3380 nM |
IC50 IC50 |
PMID: 23141909
PMID: 19028102 |
| CHEMBL2284 | P04406 | Glyceraldehyde-3-phosphate dehydrogenase liver |
10000 nM |
Potency |
via CMAUP
|
| CHEMBL4331 | P68871 | Hemoglobin beta chain |
12589.3 nM |
Potency |
via CMAUP
|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha |
12589.3 nM 12589.3 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase |
1000 nM 1100 nM 370 nM |
IC50 IC50 IC50 |
PMID: 18318466
PMID: 20580138 via Super-PRED |
| CHEMBL4040 | P28482 | MAP kinase ERK2 |
2511.9 nM 25118.9 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL1293224 | P10636 | Microtubule-associated protein tau |
15848.9 nM 5011.9 nM 19952.6 nM 7079.5 nM 8912.5 nM |
Potency Potency Potency Potency Potency |
via CMAUP
via CMAUP via CMAUP via CMAUP via CMAUP |
| CHEMBL1951 | P21397 | Monoamine oxidase A |
26000 nM |
Ki |
PMID: 22071524
|
| CHEMBL2039 | P27338 | Monoamine oxidase B |
400 nM 400 nM |
Ki Ki |
PMID: 22071524
via Super-PRED |
| CHEMBL1293235 | P02545 | Prelamin-A/C |
35481.3 nM 35481.3 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL1075189 | P14618 | Pyruvate kinase isozymes M1/M2 |
15848.9 nM 15848.9 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL3797 | Q13315 | Serine-protein kinase ATM |
39810.7 nM |
Potency |
via CMAUP
|
| CHEMBL1293232 | Q16637 | Survival motor neuron protein |
1584.9 nM |
Potency |
via CMAUP
|
| CHEMBL1293227 | O75604 | Ubiquitin carboxyl-terminal hydrolase 2 |
6309.6 nM |
Potency |
via CMAUP
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.21% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.46% | 95.56% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 93.41% | 85.94% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 89.35% | 96.67% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.32% | 82.69% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.58% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.46% | 99.23% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.86% | 93.65% |
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.
| Allium stipitatum |
| Juglans regia |
| Typha angustifolia |