| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | No |
Popular Name: PLUMBAGIN PLUMBAGIN
Find On: PubMed — Wikipedia — Google
CAS Numbers: 481-42-5 , [481-42-5]
5-Hydroxy-2-Methyl-1,4-Naphthoquinone
5-hydroxy-2-methyl-1,4-naphthoquinone; CPD-4461; plumbagin; plumbagine
5-HYDROXY-2-METHYL-1,4-NAPTHOQUINONE
5-Hydroxy-2-methyl-[1,4]naphthoquinone
5-Hydroxy-2-methylnaphthalene-1,4-dione
Plumbagin [481-42-5]; (5-Hydroxy-2-methyl-1,4-naphthoquinone)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.78 | 4.24 | -7.85 | 1 | 3 | 0 | 54 | 188.182 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_source | Constit. of various Plumbago spp., Dyerophyton africanum, Drosera congolana , many Diospyros spp., roots of Dioncophyllum thollonii, Nepenthe rafflesiana, Aristea ecklonii a | ZereneX Building Blocks |
| mechanism | . | ZereneX Building Blocks |
| Mp [°C] | 75 - 78 | Acros Organics |
| M.P | 76-77 C | Indofine Natural Products |
| M.P | 76-78 °C | Indofine Natural Products |
| MP | 77 | TCI |
| therap | antibacterial, antifungal, tuberculostatic; antifeedant (African army worms) | MicroSource Spectrum |
| UniProt Database Links | COFC_MYCS2; FGD_MYCS2; MCA_MYCS2; NOX4_HUMAN; NOX4_MOUSE; NOX4_PONAB; NOX4_RAT; SIGR_STRCO; Y560_MYCTU | ChEBI |
| Target | Early activation antigen CD69(Q07108)&Interleukin-2 receptor subunit alpha(P01589)&Interleukin-2(P60568)&Interleukin-4(P05112)&Interleukin-6(P05231)&Interferon gamma(P01579)&Baculoviral IAP repeat-containing protein 3(Q13489)&Baculoviral IAP repeat-contai | Herbal Ingredients Targets |
| Patent Database Links | EP1870105; EP1923702; US2007218124; US2007238697 | ChEBI |
| biological_use | Exhibits bactericidal | IBScreen Bioactives IBScreen Bioactives |
| SOLUBILITY | From Plumbago indica root bar; Highly Toxic, corrosive | Indofine Natural Products |
| biological_use | Fungicidal,antimalarial, | IBScreen Bioactives |
| H phrase | H301: Toxic if swallowed | Acros Organics |
| H phrase | H301: Toxic if swallowed; H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protec | Acros Organics |
| R phrase | R25: Toxic if swallowed. | Acros Organics |
| R phrase | R25: Toxic if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S28A: After contact with skin, wash immediately with plenty of water.; S37/39: Wear suitable gloves and eye/face protection.; S45: In case of accident or i | Acros Organics |
| mechanism | Suppressor of NF-kB activation, modulator of p65 and 1kB-alpha kinase activation | IBScreen Bioactives |
| Hazard | T: Toxic | Acros Organics |
| biological_use | tuberculostatic and cardiotonic activity | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-11-O | Plasmodium Falciparum (cluster #11 Of 22), Other | Other | 270 | 0.66 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 270 | 0.66 | Functional ≤ 10μM |
