2,5,7-Trihydroxynaphthoquinone

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone).

Naphthoquinones

Organic compounds

Benzenoids

Naphthalenes

Naphthoquinones

Calculated Property

kind Value Source
logP 1.33 ALOGPS
logS -1.9 ALOGPS
Water Solubility 2.40e+00 g/l ALOGPS
logP 1.02 ChemAxon
IUPAC Name 2,5,7-trihydroxy-1,4-dihydronaphthalene-1,4-dione ChemAxon
Traditional IUPAC Name flaviolin ChemAxon
Molecular Weight 206.1516 ChemAxon
Monoisotopic Weight 206.021523302 ChemAxon
SMILES OC1=CC2=C(C(O)=C1)C(=O)C=C(O)C2=O ChemAxon
Molecular Formula C10H6O5 ChemAxon
InChI InChI=1S/C10H6O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-12,14H ChemAxon
InChIKey InChIKey=RROPNRTUMVVUED-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 94.83 ChemAxon
Refractivity 52.11 ChemAxon
Polarizability 18.31 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 7.12 ChemAxon
pKa (strongest basic) -4.5 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Putative cytochrome P450 : in Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145)
  • Prenyltransferase : in Streptomyces sp. (strain CL190)