NPs Basic Information

Name
Mannitol
Molecular Formula C6H14O6
IUPAC Name*
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
SMILES
C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O
InChI
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKey
FBPFZTCFMRRESA-KVTDHHQDSA-N
Synonyms
D-mannitol; mannitol; 69-65-8; Mannite; Osmitrol; Manna sugar; 87-78-5; Cordycepic acid; Osmofundin; Resectisol; D-(-)-Mannitol; Mannit; Osmosal; Mannazucker; Mannidex; Mannigen; Mannistol; Diosmol; Invenex; Isotol; Mannitol, D-; Marine Crystal; (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol; Maniton-S; Mannogem 2080; (2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaol; Bronchitol; Mannitol (VAN); Aridol; SDM No. 35; Hexahydroxyhexane; DL-Mannitol; NCI-C50362; Mannitol (USP); Mannitol [USP]; BRN 1721898; CHEBI:16899; MFCD00064287; 3OWL53L36A; INS NO.421; 133-43-7; E-421; mannitol-d; INS-421; Mannitol 5%; NSC-407017; Mannitol [USAN]; 1,2,3,4,5,6-Hexanehexol; Mannitol 10%; Mannitol 15%; Mannitol 20%; NCGC00164246-01; E421; Mannidex 16700; DSSTox_CID_3235; Osmitrol 5% In Water; DSSTox_RID_76936; Osmitrol 10% In Water; Osmitrol 15% In Water; Osmitrol 20% In Water; DSSTox_GSID_23235; 287100-73-6; MTL; MANNITOL 25%; Resectisol In Plastic Container; Mannitol 5% In Plastic Container; Mannitol 10% In Plastic Container; Mannitol 15% In Plastic Container; Mannitol 20% In Plastic Container; CAS-69-65-8; Osmitrol (TN); SMR000857324; CCRIS 369; HSDB 714; SR-01000838849; NSC 9256; EINECS 200-711-8; EINECS 201-770-2; OSMITROL 5% IN WATER IN PLASTIC CONTAINER; NSC 407017; OSMITROL 10% IN WATER IN PLASTIC CONTAINER; OSMITROL 15% IN WATER IN PLASTIC CONTAINER; OSMITROL 20% IN WATER IN PLASTIC CONTAINER; UNII-3OWL53L36A; Cordycepate; Mannitolum; Manitol; D-mitobronitol; MANNITOL 10% W/ DEXTROSE 5% IN DISTILLED WATER; AI3-19511; Maniton s; Mannit p; D-Mannit; D-?Mannitol; Bronchitol (TN); (D)-mannitol; Mannitol 25; Mannitol 35; Mannitol 60; D(-)Mannitol; Mannitol,(S); Pearlitol 25 c; Pearlitol 50 c; Mannitol m300; Pearlitol 160 c; Mannitol 200; Mannitol 300; Pearlitol 200 sd; Pearlitol 300 dc; Mannitol 2080; D-Mannitol (Osmitrol); D-Mannitol (JP17); MANNITOL [HSDB]; MANNITOL [INCI]; MANNITOL [FCC]; MANNITOL 15% W/ DEXTROSE 5% IN SODIUM CHLORIDE 0.45%; MANNITOL 5% W/ DEXTROSE 5% IN SODIUM CHLORIDE 0.12%; Crystalline mannitol fine; MANNITOL [II]; MANNITOL [MI]; D-[2-13C]Glucitol; MANNITOL [VANDF]; D-Mannitol, ACS reagent; D-Mannitol, >=98%; M0044; D-MANNITOL [JAN]; MANNITOL [MART.]; SCHEMBL919; bmse000099; CHEMBL689; Epitope ID:114705; MANNITOL [USP-RS]; MANNITOL [WHO-DD]; Isomalt impurity, mannitol-; Crystalline mannitol standard; D-MANNITOL [WHO-IP]; 4-01-00-02841 (Beilstein Handbook Reference); ED1D1E61-FEFB-430A-AFDC-D1F4A957FC3D; MLS001335977; MLS001335978; D-Mannitol, Biochemical grade; Crystalline mannitol extra-fine; MANNITOL [EP IMPURITY]; MANNITOL [ORANGE BOOK]; D-Mannitol, AR, >=99%; D-Mannitol, LR, >=99%; MANNITOL [EP MONOGRAPH]; DTXSID1023235; MANNITOL [USP MONOGRAPH]; DTXSID30858955; MANNITOLUM [WHO-IP LATIN]; HMS2230N11; AMY33410; HY-N0378; ZINC2041302; Tox21_112092; Tox21_201487; Tox21_300483; POTASSIUMNONAFLUORO-T-BUTOXIDE; AKOS006280947; D-Mannitol, plant cell culture tested; Tox21_112092_1; BCP9000575; CCG-266445; D-Mannit 1000 microg/mL in Methanol; D-Mannitol, BioXtra, >=98% (GC); DB00742; D-Mannitol, NIST(R) SRM(R) 920; ISOMALT IMPURITY B [EP IMPURITY]; NCGC00164246-03; NCGC00164246-04; NCGC00164246-05; NCGC00254277-01; NCGC00259038-01; 85085-15-0; AC-12776; AC-14054; AS-30501; D-Mannitol, tested according to Ph.Eur.; D-Mannitol, p.a., 96.0-101.5%; D-Mannitol, SAJ first grade, >=99.0%; SORBITOL-MANNITOL COMPONENT MANNITOL; D-Mannitol, SAJ special grade, >=99.0%; E 421; S2381; SW220287-1; MANNITOL COMPONENT OF SORBITOL-MANNITOL; C00392; D00062; EN300-212188; AB00443917_06; 065M361; ISOMALT IMPURITY, MANNITOL- [USP IMPURITY]; Q407646; WURCS=2.0/1,1,0/[h1122h]/1/; Q-101039; SR-01000838849-3; SR-01000838849-4; D-Mannitol, ACS reagent, for microbiology, >=99.0%; LACTITOL MONOHYDRATE IMPURITY C [EP IMPURITY]; rel-(2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaol; D-Mannitol, meets EP, FCC, USP testing specifications; Mannitol, European Pharmacopoeia (EP) Reference Standard; Z1198149813; D-Mannitol, BioUltra, >=99.0% (sum of enantiomers, HPLC); Mannitol, United States Pharmacopeia (USP) Reference Standard; D-Mannitol, >=99.9999% (metals basis), for boron determination; Mannitol, Pharmaceutical Secondary Standard; Certified Reference Material
CAS 69-65-8
PubChem CID 6251
ChEMBL ID CHEMBL689
*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 ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference
Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference

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

Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name
Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name

NPs Physi-Chem Properties

Molecular Weight: 182.17 ALogp: -3.1
HBD: 6 HBA: 6
Rotatable Bonds: 5 Lipinski's rule of five: Rejected
Polar Surface Area: 121.0 Aromatic Rings: 0
Heavy Atoms: 12 QED Weighted: 0.264

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability: -5.401 MDCK Permeability: 0.00048477
Pgp-inhibitor: 0.003 Pgp-substrate: 0.784
Human Intestinal Absorption (HIA): 0.579 20% Bioavailability (F20%): 0.987
30% Bioavailability (F30%): 0.997

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB): 0.276 Plasma Protein Binding (PPB): 13.73%
Volume Distribution (VD): 0.332 Fu: 76.30%

ADMET: Metabolism

CYP1A2-inhibitor: 0.016 CYP1A2-substrate: 0.02
CYP2C19-inhibitor: 0.01 CYP2C19-substrate: 0.068
CYP2C9-inhibitor: 0 CYP2C9-substrate: 0.115
CYP2D6-inhibitor: 0 CYP2D6-substrate: 0.103
CYP3A4-inhibitor: 0.003 CYP3A4-substrate: 0.008

ADMET: Excretion

Clearance (CL): 1.614 Half-life (T1/2): 0.745

ADMET: Toxicity

hERG Blockers: 0.105 Human Hepatotoxicity (H-HT): 0.028
Drug-inuced Liver Injury (DILI): 0.038 AMES Toxicity: 0.054
Rat Oral Acute Toxicity: 0.003 Maximum Recommended Daily Dose: 0.001
Skin Sensitization: 0.086 Carcinogencity: 0.004
Eye Corrosion: 0.004 Eye Irritation: 0.861
Respiratory Toxicity: 0.019
*Note: the ADMET properties was calculated by ADMETlab 2.0. Reference: PMID: 33893803.

Similar Compounds*

Compounds similar to EMNPD with top10 similarity:

Similar NPs Similar Drugs
NPs ID NPs 2D Structure Similarity Score TTD ID Drug 2D Structure Similarity Score
ENC000405 1.000 D09MXS 1.000
ENC000161 0.774 D0P7EK 1.000
ENC001758 0.625 D0T6VD 0.578
ENC001267 0.591 D0VM8K 0.524
ENC003038 0.548 D06HZY 0.500
ENC001002 0.489 D02KFP 0.475
ENC005983 0.407 D0B8SY 0.400
ENC005982 0.407 D03MGL 0.280
ENC005901 0.406 D04QST 0.226
ENC001210 0.403 D04XDT 0.222
*Note: the compound similarity was calculated by RDKIT.