Natural Product: ENC000722

NPs Basic Information

Download MOL File
Name
Decanamide
Molecular Formula C10H21NO
IUPAC Name*
decanamide
SMILES
CCCCCCCCCC(=O)N
InChI
InChI=1S/C10H21NO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H2,11,12)
InChIKey
TUTWLYPCGCUWQI-UHFFFAOYSA-N
Synonyms
Decanamide; 2319-29-1; n-Decanamide; Decan-1-amide; Capramide; Decylamide; Decanoic acid amide; Decanamide-; N1468ZF07R; NSC-57564; 67700-97-4; Decanoylamide; UNII-N1468ZF07R; Capric acid amide; EINECS 219-029-7; ARMID 10; SCHEMBL43639; SCHEMBL19407773; CHEBI:38833; DTXSID80867310; DTXSID801022380; CAA31929; NSC57564; ZINC1688114; EINECS 266-921-7; LMFA08010005; MFCD00025541; NSC 57564; AKOS009159490; AS-56239; DB-046100; CS-0133974; FT-0624486; D89393; A878311; Q5801030
CAS 2319-29-1
PubChem CID 75347
ChEMBL ID NA
*Note: the IUPAC Name was collected from PubChem.
Chemical Classification:
  • Kingdom: Organic compounds
    • Superclass: Lipids and lipid-like mol
      • Class: Fatty Acyls
        • Subclass: Fatty amides
          • Direct Parent: Fatty amides

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: 171.28 ALogp: 3.4
HBD: 1 HBA: 1
Rotatable Bonds: 8 Lipinski's rule of five: Accepted
Polar Surface Area: 43.1 Aromatic Rings: 0
Heavy Atoms: 12 QED Weighted: 0.559

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability: -4.602 MDCK Permeability: 0.00002920
Pgp-inhibitor: 0.01 Pgp-substrate: 0.008
Human Intestinal Absorption (HIA): 0.002 20% Bioavailability (F20%): 0.851
30% Bioavailability (F30%): 0.946

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB): 0.998 Plasma Protein Binding (PPB): 91.55%
Volume Distribution (VD): 0.678 Fu: 12.92%

ADMET: Metabolism

CYP1A2-inhibitor: 0.873 CYP1A2-substrate: 0.644
CYP2C19-inhibitor: 0.247 CYP2C19-substrate: 0.09
CYP2C9-inhibitor: 0.244 CYP2C9-substrate: 0.705
CYP2D6-inhibitor: 0.016 CYP2D6-substrate: 0.136
CYP3A4-inhibitor: 0.044 CYP3A4-substrate: 0.081

ADMET: Excretion

Clearance (CL): 7.374 Half-life (T1/2): 0.239

ADMET: Toxicity

hERG Blockers: 0.108 Human Hepatotoxicity (H-HT): 0.032
Drug-inuced Liver Injury (DILI): 0.042 AMES Toxicity: 0.014
Rat Oral Acute Toxicity: 0.032 Maximum Recommended Daily Dose: 0.015
Skin Sensitization: 0.633 Carcinogencity: 0.099
Eye Corrosion: 0.113 Eye Irritation: 0.936
Respiratory Toxicity: 0.038
*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
ENC000472 0.846 D0Z5BC 0.500
ENC000687 0.818 D03ZJE 0.438
ENC000265 0.737 D07ILQ 0.431
ENC000088 0.737 D05ATI 0.429
ENC000270 0.683 D0E4WR 0.417
ENC000249 0.683 D0XN8C 0.415
ENC000487 0.683 D0AY9Q 0.415
ENC000556 0.683 D0O1PH 0.414
ENC000263 0.658 D0Z5SM 0.381
ENC000451 0.658 D0O1TC 0.371
*Note: the compound similarity was calculated by RDKIT.