Compound: Plumbagin
SMILES: O=C1c2c(C(=O)C=C1C)c(O)ccc2
InChIKey: VCMMXZQDRFWYSE-UHFFFAOYSA-N
Synonyms: Plumbagin, 481-42-5, 5-hydroxy-2-methylnaphthalene-1,4-dione, Plumbagine, 5-Hydroxy-2-methyl-1,4-naphthoquinone, 2-Methyljuglone, Plumbaein, Plumbagone, 5-Hydroxy-2-methyl-1,4-naphthalenedione, 2-Methyl-5-hydroxy-1,4-naphthoquinone, 5-hydroxy-2-methyl-1,4-dihydronaphthalene-1,4-dione, YAS4TBQ4OQ, NSC-236613, NSC-688284, PCUR-101, CHEBI:8273, RefChem:863847, PCUR101, PCUR 101, Synthetic Plumbagin PCUR-101, 207-569-6, 1,4-Naphthalenedione, 5-hydroxy-2-methyl-, 5-Hydroxy-2-methyl-[1,4]naphthoquinone, MFCD00001682, NSC 236613, NSC 688284, 5-Hydroxy-2-methyl-naphthalene-1,4-dione, CHEMBL295316, 1,4-NAPHTHOQUINONE, 5-HYDROXY-2-METHYL-, NSC236613, NSC688284, ST069355, Ophioxylin, CCRIS 6671, SR-05000002263, UNII-YAS4TBQ4OQ, EINECS 207-569-6, BRN 1870475, Pumbagin, AI3-38055, DTXSID8075413, 5-Hydroxy-2-methylnaphthoquinone, Plumbagin (Standard), Plumbagin [WHO-DD], PLUMBAGIN [MI], RTK1, 1, 5-hydroxy-2-methyl-, SCHEMBL34186, BSPBio_002546, 4-08-00-02376 (Beilstein Handbook Reference), Plumbagin from Plumbago indica, SPECTRUM1505129, GTPL7003, orb1304950, orb3140241, SCHEMBL29386213, ACon1_001611, HY-N1497R, GLXC-07459, HMS3870L13, WLN: L66 BV EVJ C1 GQ, HY-N1497, BDBM50012070, MSK177647, s4777, SBB012388, STL564479, AKOS015969699, CCG-208032, CCG-208410, EBC-421050, FP13778, NCGC00094567-01, NCGC00094567-02, NCGC00094567-03, NCGC00094567-04, NCGC00094567-05, NCGC00094567-06, NCGC00094567-10, BP-25404, NCI60_001904, PS-11338, SY050738, DB-051524, CS-0017042, NS00031768, P1139, 5- HYDROXY,2-METHYL-1,4-NAPHTOQUINONE, AP-782/41885488, A1-00788, Q2550553, SR-05000002263-2, SR-05000002263-3, BRD-K36137799-001-02-4, BRD-K36137799-001-03-2, InChI=1/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H, Plumbagin2-Methyljuglone; 5-hydroxy-2-methylnaphthalene-1,4-dione; 5-Hydroxy-2-methyl-1,4-naphthoquinone
Theoretical properties:
molecular_formula: C11H8O3
molecular_weight: 188.18 g/mol
exact_mass: 188.047344113 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 14
topological_polar_surface_area: 54.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Plumbagin is a hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively. It has a role as a metabolite, an antineoplastic agent, an anticoagulant and an immunological adjuvant. It is a hydroxy-1,4-naphthoquinone and a member of phenols.
chebi: A  hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively.
chembl: PLUMBAGIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 1.0.
wikipedia: Plumbagin or 5-hydroxy-2-methyl-1,4-naphthoquinone is an organic compound with the chemical formula C11H8O3. It is regarded as a toxin and it is genotoxic and mutagenic.
Plumbagin is a yellow dye, formally derived from naphthoquinone.
It is named after the plant genus Plumbago, from which it was originally isolated.
It is also commonly found in the carnivorous plant genera Drosera and Nepenthes. It is also a component of the black walnut drupe.