NPs Basic Information

Name
Glycerol
Molecular Formula C3H8O3
IUPAC Name*
propane-1,2,3-triol
SMILES
C(C(CO)O)O
InChI
InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKey
PEDCQBHIVMGVHV-UHFFFAOYSA-N
Synonyms
glycerol; glycerin; 56-81-5; Glycerine; PROPANE-1,2,3-TRIOL; 1,2,3-Propanetriol; Glycyl alcohol; Trihydroxypropane; Glyceritol; Propanetriol; 1,2,3-trihydroxypropane; Osmoglyn; Grocolene; Glysanin; Glyrol; Glycerin, synthetic; Dagralax; Glycerinum; Ophthalgan; Vitrosupos; Glycerin, anhydrous; Synthetic glycerin; Synthetic glycerine; Optim; Moon; Star; Incorporation factor; Glycerolum; 90 Technical glycerine; Glycerin mist; Glycerin (mist); 25618-55-7; Citifluor AF 2; Bulbold; Cristal; Glicerina [DCIT]; Glycerine mist; Caswell No. 469; Glycerin [JAN]; FEMA No. 2525; Propanetriol (VAN); Glycerin base; Tryhydroxypropane; Glycerin, natural; Glycerin,anhydrous; Glicerol [INN-Spanish]; Glycerolum [INN-Latin]; Clyzerin, wasserfrei; Pricerine 9091; Clyzerin, wasserfrei [German]; Emery 916; CCRIS 2295; HSDB 492; Monoctanoin Component D; EPA Pesticide Chemical Code 063507; Collyrium Fresh-Eye Drops; AI3-00091; NSC 9230; Glycerol [INN]; BRN 0635685; IFP; di-o-tolylphenylphosphine; DYNASTIN 7; NSC-9230; MFCD00004722; PDC6A3C0OX; 1,2,3-trihydroxypropanol; INS NO.422; CHEBI:17754; INS-422; NSC9230; Glycerol (INN); M 314429; 101662-08-2; 144086-03-3; PZN 7474853; NCGC00090950-03; Diacylglycerol(35:0); DSSTox_CID_662; E-422; DSSTox_RID_75717; DSSTox_GSID_20663; 107283-02-3; 153050-05-6; 18803-09-3; 1H-Thieno[3,4-d]iMidazole-4-pentanaMide, hexahydro-2-oxo-N-[6-oxo-6-(2-propenylaMino)hexyl]-, (3aS,4; 26403-55-4; Glycerol; Propane-1,2,3-Triol; Glicerina; Glicerol; Heterochromatin-specific nonhistone chromosomal protein HP-1; DAG 31:3; DAG 35:0; DAG(35:0); Glycerol, ACS reagent, >=99.5%; Glyceol Opthalgan; DG 31:3; DG 35:0; CAS-56-81-5; DG(31:3); DG(35:0); GOL; Mackstat H 66; WURCS=2.0/1,1,0/[h2h]/1/; Glycerin [USP:JAN]; RG-S; EINECS 200-289-5; UNII-PDC6A3C0OX; Neutracett; Glyceol; Glyzerin; Oelsuess; glycerine usp; Artifical tears; D-glycerol; L-glycerol; Organic Glycerin; Organic Glycerine; Glycerine (crude); 1,3-Propanetriol; Glycerol, ultrapure; Glycerin USP grade; Glycerine 96%; Glycerol 85%; diacylglycerol 31:3; diacylglycerol 35:0; 8043-29-6; Glycerin 99.5%; Glycerine 96% USP; 1,3-Trihydroxypropane; 90 Technical glycerin; Emery 912; diacylglycerol(31:3); GLYCERIN [HSDB]; GLYCERIN [INCI]; GLYCEROL [FHFI]; GLYCERIN [II]; GLYCEROL [MI]; GLYCERIN [VANDF]; Dl-[1-13C]Glycerol; GLYCERINUM [HPUS]; E 422; Glycerin (JP17/USP); Glycerin 99.5% USP; Glycerine 99.7% USP; GLYCEROL [MART.]; bmse000184; bmse000807; bmse000856; CHEMBL692; GLYCERIN [USP-RS]; GLYCEROL [WHO-DD]; GLYCEROL [WHO-IP]; MolMap_000024; EC 200-289-5; Glycerol, >=99.5%; Glycerol, biochemical grade; Glycerin Reagent Grade ACS; WLN: Q1YQ1Q; Glycerine (Fragrance Grade); 2-hydroxylpropane-1,3-diol; Glycerol, LR, >=98%; Glycerol, analytical standard; 4-01-00-02751 (Beilstein Handbook Reference); Glycerol, Cell Culture Grade; Glycerol-[1,3-13C2]; Glycerol min 98%, anhydrous; Glycerol, >=99% (GC); GLYCERIN [ORANGE BOOK]; GLYCEROL [EP IMPURITY]; GTPL5195; QSPL 181; GLYCEROL [EP MONOGRAPH]; DTXSID9020663; GLYCERIN [USP MONOGRAPH]; Glycerol, AR, >=99.5%; Pentrioxido sulfurico glycerincol; Glycerol, >99%, FCC, FG; Glycerol, technical grade, 95%; Glycerol, ultrapure, HPLC Grade; 2w97; CHEBI:131416; CHEBI:178017; CHEBI:189439; GLYCEROL 85% [WHO-DD]; Glycerol, ACS reagent, 99.5%; Glycerol, Molecular Biology Grade; GLYCEROLUM [WHO-IP LATIN]; GLYCERIN,ANHYDROUS [VANDF]; Pharmakon1600-01300020; ZINC895048; Glycerol, Vetec(TM) reagent grade; HY-B1659; STR02073; Glycerine 912 (96% CP/USP); Tox21_111043; Tox21_202077; Tox21_300144; c0066; DAG(31:3); Glycerol, BioXtra, >=99% (GC); Glycerol, ReagentPlus(R), >=99%; NSC759633; s2766; STL199174; 2-PROPANOL, 1,3-DIHYDROXY-; AKOS000120102; CS-6964; DB09462; Glycerol, USP, 99.0-101.0%; NSC-759633; SB83762; GLYCERIN; PROPANE-1,2,3-TRIOL; Glycerolglycerin; Propane-1,2,3-Triol; Glycerol, SAJ first grade, >=98.0%; NCGC00090950-01; NCGC00090950-02; NCGC00090950-04; NCGC00090950-05; NCGC00253975-01; NCGC00259626-01; BP-31039; E422; Glycerol, for molecular biology, >=99%; Glycerol, JIS special grade, >=99.0%; Glycerol, Vetec(TM) reagent grade, 99%; Glycerin, meets USP testing specifications; FT-0626742; FT-0669018; FT-0697060; G0316; Glycerol, ultrapure, Spectrophotometric Grade; EN300-19328; Glycerol, ReagentPlus(R), >=99.0% (GC); Glycerol, spectrophotometric grade, >=99.5%; C00116; D00028; D92249; A831186; Glycerol, tested according to Ph.Eur., anhydrous; Q132501; BRD-K73866522-001-02-6; Glycerol-Gelatine, for mounting (histochemical slides); F0001-1470; 8DFDFCD7-1ED2-4373-845E-054F5AD00089; Glycerin, United States Pharmacopeia (USP) Reference Standard; Glycerin, Pharmaceutical Secondary Standard; Certified Reference Material; Glycerol, BioUltra, for molecular biology, anhydrous, >=99.5% (GC); Glycerol, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 98.0-101.0%; Glycerol, puriss. p.a., ACS reagent, anhydrous, dist., >=99.5% (GC); Glycerol, BioReagent, suitable for cell culture, suitable for insect cell culture, suitable for electrophoresis, >=99% (GC); Glycerol, puriss., meets analytical specification of Ph. Eur., BP, USP, FCC, E422, anhydrous, 99.0-101.0% (alkalimetric)
CAS 56-81-5
PubChem CID 753
ChEMBL ID CHEMBL692
*Note: the IUPAC Name was collected from PubChem.
Chemical Classification:
  • Kingdom: Organic compounds
    • Superclass: Organic oxygen compounds
      • Class: Organooxygen compounds
        • Subclass: Carbohydrates and carbohy
          • Direct Parent: Sugar alcohols

ClassyFire Version 1.0
PMID:27867422

NPs Species Source

Endophyte IDEndophyte NameFamilyGenusTaxonomy IDGenBank IDClosest GenBank IDReference
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NPs Content

*Note: The vaules in Content Percentage are calculated by dividing the content value by the maximum content value in NP Content.
**Note: The units with different NP content, due to their incomparable values, are separated into different tables.

NPs Biological Activity

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NPs Physi-Chem Properties

Molecular Weight: 92.09 ALogp: -1.8
HBD: 3 HBA: 3
Rotatable Bonds: 2 Lipinski's rule of five: Accepted
Polar Surface Area: 60.7 Aromatic Rings: 0
Heavy Atoms: 6 QED Weighted: 0.405

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability: -5.159 MDCK Permeability: 0.02102864
Pgp-inhibitor: 0 Pgp-substrate: 0.012
Human Intestinal Absorption (HIA): 0.66 20% Bioavailability (F20%): 0.767
30% Bioavailability (F30%): 0.803

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB): 0.239 Plasma Protein Binding (PPB): 9.32%
Volume Distribution (VD): 0.64 Fu: 89.50%

ADMET: Metabolism

CYP1A2-inhibitor: 0.022 CYP1A2-substrate: 0.058
CYP2C19-inhibitor: 0.013 CYP2C19-substrate: 0.112
CYP2C9-inhibitor: 0.002 CYP2C9-substrate: 0.078
CYP2D6-inhibitor: 0.002 CYP2D6-substrate: 0.149
CYP3A4-inhibitor: 0.005 CYP3A4-substrate: 0.06

ADMET: Excretion

Clearance (CL): 3.143 Half-life (T1/2): 0.873

ADMET: Toxicity

hERG Blockers: 0.054 Human Hepatotoxicity (H-HT): 0.051
Drug-inuced Liver Injury (DILI): 0.027 AMES Toxicity: 0.044
Rat Oral Acute Toxicity: 0.01 Maximum Recommended Daily Dose: 0.003
Skin Sensitization: 0.11 Carcinogencity: 0.035
Eye Corrosion: 0.019 Eye Irritation: 0.988
Respiratory Toxicity: 0.013
*Note: the ADMET properties was calculated by ADMETlab 2.0. Reference: PMID: 33893803.

Similar Compounds*

Compounds similar to EMNPD with top10 similarity:

*Note: the compound similarity was calculated by RDKIT.