Natural Product (NP) Details

General Information of the NP (ID: NP8427)
Name
Phloroglucinol
Synonyms
phloroglucinol; 108-73-6; Benzene-1,3,5-triol; 1,3,5-trihydroxybenzene; 1,3,5-benzenetriol; Phloroglucin; Phloroglucine; Spasfon-Lyoc; s-Trihydroxybenzene; 5-Hydroxyresorcinol; Benzene-s-triol; 3,5-Dihydroxyphenol; Phloroglucinol anhydrous; Benzene, trihydroxy; sym-Trihydroxybenzene; 5-Oxyresorcinol; Dilospan S; Floroglucinol; Floroglucin; 5-Oxyresorcinolphloroglucin; 1,3,5-THB; 1,3,5-Trihydroxycyclohexatriene; 1,3,5-Triol; MFCD00002286; Benzene, 1,3,5-trihydroxy-; UNII-DHD7FFG6YS; Phloroglucinol, anhydrous; 5-Benzenetriol; 1,2,5-trihydroxybenzene; NSC 1572; Phloroglucinol (JAN); DHD7FFG6YS; CHEMBL473159; CHEBI:16204; NSC-1572; Floroglucin [Czech]; Floroglucinol [Czech]; Phloroglucinol, 99+%, anhydrous; CCRIS 4147; NCGC00166270-01; EINECS 203-611-2; BRN 1341907; AI3-08848; phloroglucinol ts; 1,5-Benzenetriol; 13X; Dilospan S (TN); PubChem2603; Phloroglucinol [BAN]; 1,5-Trihydroxybenzene; 1,5-Triol; Benzene,3,5-trihydroxy-; WLN: QR CQ EQ; 1,3,5-trihydroxylbenzene; 1,3,5-trihydroxy benzene; 1,3,5-trihydroxy-benzene; 1,3, 5-Trihydroxybenzene; SCHEMBL26311; 1,5-Trihydroxycyclohexatriene; 4-06-00-07361 (Beilstein Handbook Reference); Phloroglucinol, p.a., 99%; DTXSID9048354; NSC1572; ZINC391883; ACT13446; ANW-15974; BBL018701; BDBM50249069; STL146346; phloroglucinol (1,3,5-benzenetriol); Phloroglucinol, >=99.0% (HPLC); AKOS000119851; AM84333; AS04650; DB12944; FS-4574; MCULE-5869131240; 1,3,5-Benzenetriol (ACD/Name 4.0); NCGC00166270-02; AC-10081; FT-0606511; FT-0673853; P0249; P1376; ST50214381; A-8565; C02183; D00152; A801919; Q899008; Q-200070; Phloroglucinol, plant cell culture tested, BioReagent; F0001-0177; Phloroglucinol, Used to detect the presence of wood fiber.; Phloroglucinol (anhydrous), European Pharmacopoeia (EP) Reference Standard
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Species Origin Dryopteris arguta ...     Click to Show/Hide
Dryopteris arguta
Kingdom: Viridiplantae
Phylum: Streptophyta
Class: Polypodiopsida
Order: Polypodiales
Family: Dryopteridaceae
Genus: Dryopteris
Species: Dryopteris arguta
Disease Urinary system disease [ICD-11: GC2Z] Approved [1]
Structure
Click to Download Mol
2D MOL

3D MOL

ADMET Property
Absporption
Caco-2 Permeability
 -5.065
 
MDCK Permeability
 -4.748
 
PAMPA
 -
 
HIA
 - - -
 
Distribution
VDss
 -0.043
 
PPB
 52.8%
 
BBB
 - -
 
Metabolism
CYP1A2 inhibitor
 +++
CYP1A2 substrate
 +++
CYP2C19 inhibitor
 ++
CYP2C19 substrate
 - - -
CYP2C9 inhibitor
 ++
CYP2C9 substrate
 ++
CYP2D6 inhibitor
 +++
CYP2D6 substrate
 +++
CYP3A4 inhibitor
 +++
CYP3A4 substrate
 - - -
CYP2B6 inhibitor
 +++
CYP2B6 substrate
 - - -
CYP2C8 inhibitor
 +++
HLM Stability
 +++
 
Excretion
CLplasma
 11.771
 
T1/2
 1.332
Toxicity
DILI
 - - -
 
Rat Oral Acute Toxicity
 -
 
FDAMDD
 ++
 
Respiratory
 +
 
Human Hepatotoxicity
 -
 
Ototoxicity
 - -
 
Drug-induced Nephrotoxicity
 - - -
 
Drug-induced Neurotoxicity
 -
 
Hematotoxicity
 - - -
 
Genotoxicity
 +++
 
Tips: 1. For the classification endpoints, the prediction probability values are transformed into six symbols: 0-0.1 (- - -), 0.1-0.3 (- -), 0.3-0.5 (-), 0.5-0.7 (+), 0.7-0.9 (++), and 0.9-1.0 (+++). 2. Additionally, the corresponding relationships of the three labels are as follows: excellent; medium; poor.
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    Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product
Formula
C6H6O3
PubChem CID
359
Canonical SMILES
C1=C(C=C(C=C1O)O)O
InChI
1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
InChIKey
QCDYQQDYXPDABM-UHFFFAOYSA-N
CAS Number
CAS 108-73-6
ChEBI ID
CHEBI:16204
Herb ID
HBIN039582
TTD Drug ID
D07EXH
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP
          Parecoxib      Gastrointestinal stromal tumor     Click to Show/Hide the Molecular Data of This Drug
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Experimental
                    Result(s)		 Parecoxib in combination with phloroglucinol for acute renal colic has a faster action, also reduces the demand of rescue analgesics.
References
Reference 1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
Reference 2 Efficacy and safety of parecoxib/phloroglucinol combination therapy versus parecoxib monotherapy for acute renal colic: a randomized, double-blind clinical trial. Cell Biochem Biophys. 2014 May;69(1):157-61.
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