NuBBE: The NuBBE DB Ontology
type: Ontology
license: Creative Commons Attribution No-Commercial No-Derives 4.0 International
creator: Edgard Marx
issued: 2021-12-06
modified: 2021-12-06
publisher: NuBBE
rights: Copyright © 2022 NuBBE
preferred namespace prefix: nubbe
preferred namespace uri: nubbe/
vocabulary: ns
vocabulary: terms
vocabulary: vann
vocabulary: void#
vocabulary: 22-rdf-syntax-ns#
vocabulary: rdf-schema#
vocabulary: owl#
comment: The NuBBE biochemical knowledge graph vocabulary.
version info: SNAPSHOT
type: NamedIndividual
type: Vocabulary

biological activity
type: DatatypeProperty
domain: Chemical Compound
range: string
issued: 2021-12-06
comment: The value of the mapping.

logP coeficient
type: DatatypeProperty
domain: Chemical Compound
range: double
issued: 2021-12-06
comment: The logP value of a compound, which is the logarithm of its partition coefficient between n-octanol and water log(c_octanol/c_water).

code
type: DatatypeProperty
domain: Chemical Compound
range: integer
issued: 2021-12-06
comment: The NUBBE unique identifier code of the Chemical Compound.

collection site
type: DatatypeProperty
domain: Chemical Compound
range: string
issued: 2021-12-06
comment: The name of the site where the sample was collected.

collection specie
type: DatatypeProperty
domain: Chemical Compound
range: string
issued: 2021-12-06
comment: The name living specie where the molecule is reported to be found.

collection type
type: DatatypeProperty
domain: Chemical Compound
range: string
issued: 2021-12-06
comment: The type of the collection.

doi
type: DatatypeProperty
domain: Chemical Compound
range: string
issued: 2021-12-06
comment: The doi of the document from which the information was extracted.

molecular mass
type: DatatypeProperty
domain: Chemical Compound
range: double
issued: 2021-12-06
comment: The mass of the molecule.

molecular volume
type: DatatypeProperty
domain: Chemical Compound
range: double
issued: 2021-12-06
comment: The volume occupied by one mole of it at a given temperature and pressure.

monoisotropic mass
type: DatatypeProperty
domain: Chemical Compound
range: double
issued: 2021-12-06
comment: The monoisotropic mass of the molecule.

number of H-bond acceptors
type: DatatypeProperty
domain: Chemical Compound
range: int
issued: 2021-12-06
comment: The value (numerical or not) of a mesurement.

number of H-bond donors
type: DatatypeProperty
domain: Chemical Compound
range: int
issued: 2021-12-06
comment: The value (numerical or not) of a mesurement.

number of Lipiski violations
type: DatatypeProperty
domain: Chemical Compound
range: int
issued: 2021-12-06
comment: Number of violations of Lipinski's rule of five, also known as Pfizer's rule of five or simply the rule of five (RO5), is a rule of thumb to evaluate druglikeness or determine if a chemical compound with a certain pharmacological or biological activity has chemical properties and physical properties that would make it a likely orally active drug in humans.

number of rotable bonds
type: DatatypeProperty
domain: Chemical Compound
range: int
issued: 2021-12-06
comment: A rotatable bond is defined as any single non-ring bond, attached to a non-terminal, non-hydrogen atom.

smile
type: DatatypeProperty
domain: Chemical Compound
range: string
issued: 2021-12-06
comment: The SMILE representation of the Chemical Compound.

topological polar surface area (TPSA)
type: DatatypeProperty
domain: Chemical Compound
range: double
issued: 2021-12-06
comment: The topological polar surface area (TPSA) of a molecule is defined as the surface sum over all polar atoms or molecules, primarily oxygen and nitrogen, also including their attached hydrogen atoms.

Acridine Alkaloid Or Acridone
type: Class
subclass of: Alkaloids
issued: 2021-12-07
comment: A Acridine Alkaloid Or Acridone.

Alkaloids
type: Class
subclass of: Chemical Compound
issued: 2021-12-07
comment: A Alkaloids.

Aminoacid
type: Class
subclass of: AminoacidsAndPeptide
issued: 2021-12-07
comment: A Aminoacid.

Aminoacid or Peptide
type: Class
subclass of: Chemical Compound
issued: 2021-12-07
comment: A Aminoacid or Peptide.

Anthocyanidin
type: Class
subclass of: Flavonoid
issued: 2021-12-07
comment: A Anthocyanidin.

Aromatic Acid
type: Class
subclass of: Aromatic Derivative
issued: 2021-12-07
comment: A Aromatic Acid.

Aromatic Derivative
type: Class
subclass of: Chemical Compound
issued: 2021-12-07
comment: A Aromatic Derivative.

Aromatic Polyketide
type: Class
subclass of: Polyketides
issued: 2021-12-07
comment: A Aromatic Polyketide.

Benzofuranoid
type: Class
subclass of: Aromatic Derivative
issued: 2021-12-07
comment: A Benzofuranoid.

Benzophenone Derivative
type: Class
subclass of: Aromatic Derivative
issued: 2021-12-07
comment: A Benzophenone Derivative.

Biflavonoid
type: Class
subclass of: Flavonoid
issued: 2021-12-07
comment: A Biflavonoid.

Carbohydrate
type: Class
subclass of: Chemical Compound
issued: 2021-12-07
comment: A Carbohydrate.

Chalcones
type: Class
subclass of: Chemical Compound
issued: 2021-12-07
comment: A Chalcones.

Chemical Compound
type: Class
subclass of: Chemical Substance
issued: 2021-12-07
comment: A Chemical Compound.

Chemical Substance
type: Class
subclass of: Thing
issued: 2021-12-07
comment: A Chemical Substance.

Chromane
type: Class
subclass of: Aromatic Derivative
issued: 2021-12-07
comment: A Chromane.

Chromanone
type: Class
subclass of: Aromatic Derivative
issued: 2021-12-07
comment: A Chromanone.

Chromene
type: Class
subclass of: Aromatic Derivative
issued: 2021-12-07
comment: A Chromene.

Chromone
type: Class
subclass of: Aromatic Derivative
issued: 2021-12-07
comment: A Chromone.

Coumarin
type: Class
subclass of: Aromatic Derivative
issued: 2021-12-07
comment: A Coumarin.

Diterpenoid
type: Class
subclass of: Terpene
issued: 2021-12-07
comment: A Diterpenoid.

Flavanol
type: Class
subclass of: Flavonoid
issued: 2021-12-07
comment: A Flavanol.

Flavanone
type: Class
subclass of: Flavonoid
issued: 2021-12-07
comment: A Flavanone.

Flavone
type: Class
subclass of: Flavonoid
issued: 2021-12-07
comment: A Flavone.

Flavonoid
type: Class
subclass of: Chemical Compound
issued: 2021-12-07
comment: A Flavonoid.

Flavonol
type: Class
subclass of: Flavonoid
issued: 2021-12-07
comment: A Flavonol.

Hemiterpenoid
type: Class
subclass of: Terpene
issued: 2021-12-07
comment: A Hemiterpenoid.

Hydrolysable Tannin
type: Class
subclass of: Tanins
issued: 2021-12-07
comment: A Hydrolysable Tannin.

Imidazole Alkaloid
type: Class
subclass of: Alkaloids
issued: 2021-12-07
comment: A Imidazole Alkaloid.

Indole Alkaloid
type: Class
subclass of: Alkaloids
issued: 2021-12-07
comment: A Indole Alkaloid.

Iridoid
type: Class
subclass of: Terpene
issued: 2021-12-07
comment: A Iridoid.

Isoflavonoid
type: Class
subclass of: Flavonoid
issued: 2021-12-07
comment: A Isoflavonoid.

Lignoid
type: Class
subclass of: Chemical Compound
issued: 2021-12-07
comment: A Lignoid.

Linear Polyketide
type: Class
subclass of: Polyketides
issued: 2021-12-07
comment: A Linear Polyketide.

Lipid
type: Class
subclass of: Chemical Compound
issued: 2021-12-07
comment: A Lipid.

Meroterpenoid
type: Class
subclass of: Terpene
issued: 2021-12-07
comment: A Meroterpenoid.

Monoterpenoid
type: Class
subclass of: Terpene
issued: 2021-12-07
comment: A Monoterpenoid.

Peptide
type: Class
subclass of: AminoacidsAndPeptide
issued: 2021-12-07
comment: A Peptide.

Phenylpropanoids
type: Class
subclass of: Chemical Compound
issued: 2021-12-07
comment: A Phenylpropanoids.

Piperidine Alkaloid
type: Class
subclass of: Alkaloids
issued: 2021-12-07
comment: A Piperidine Alkaloid.

Polyketides
type: Class
subclass of: Chemical Compound
issued: 2021-12-07
comment: A Polyketides.

Pyridine Alkaloid
type: Class
subclass of: Alkaloids
issued: 2021-12-07
comment: A Pyridine Alkaloid.

Pyrrolidine Alkaloid
type: Class
subclass of: Alkaloids
issued: 2021-12-07
comment: A Pyrrolidine Alkaloid.

Quinazoline Alkaloid
type: Class
subclass of: Alkaloids
issued: 2021-12-07
comment: A Quinazoline Alkaloid.

Quinoline Alkaloid
type: Class
subclass of: Alkaloids
issued: 2021-12-07
comment: A Quinoline Alkaloid.

Quinolizidine Alkaloid
type: Class
subclass of: Alkaloids
issued: 2021-12-07
comment: A Quinolizidine Alkaloid.

Sesquiterpenoid
type: Class
subclass of: Terpene
issued: 2021-12-07
comment: A Sesquiterpenoid.

Steroids
type: Class
subclass of: Terpene
issued: 2021-12-07
comment: A Steroids.

Stilbene
type: Class
subclass of: Aromatic Derivative
issued: 2021-12-07
comment: A Stilbene.

Styryl Pyrone
type: Class
subclass of: Aromatic Derivative
issued: 2021-12-07
comment: A Styryl Pyrone.

Terpene
type: Class
subclass of: Chemical Compound
issued: 2021-12-07
comment: A Terpene.

Tetrahydroisoquinoline Alkaloid
type: Class
subclass of: Alkaloids
issued: 2021-12-07
comment: A Tetrahydroisoquinoline Alkaloid.

Triterpenoid
type: Class
subclass of: Terpene
issued: 2021-12-07
comment: A Triterpenoid.

Xanthone
type: Class
subclass of: Aromatic Derivative
issued: 2021-12-07
comment: A Xanthone.

Β-Lactam
type: Class
subclass of: AminoacidsAndPeptide
issued: 2021-12-07
comment: A Β-Lactam.

Edgard Marx
type: NamedIndividual
type: Agent
type: Person