OSADHI - Online Structural and Analytics based Database for Herbs of India

  • Home
  • About
  • Features
  • Search
    • Name
    • Therapeutics
    • Family
    • Phytochemicals
    • Natural Product Classes
  • Team
  • Contact

Chemoinformaics analysis of Myristicanol B


Physiochemical Properties
Molecular Weight 404.459 nRot 10
Heavy Atom Molecular Weight 376.235 nRig 13
Exact Molecular Weight 404.184 nRing 2
Solubility: LogS -3.237 nHRing 0
Solubility: LogP 2.119 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 57 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 29 No. of Aromatic Carbocycles 2
nHetero 7 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 28 No. of Saturated Hetero Cycles 0
No. of Carbon atom 22 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 7 No. of Arom Bond 12
nHA 7 APOL 61.0242
nHD 2 BPOL 36.7698
Medicinal Chemistry Properties
QED 0.629
Synth 3.174
Natural Product Likeliness 1.027
NR-PPAR-gamma 0.004
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.83
Pgp-sub 0.041
HIA 0.009
CACO-2 -4.724
Distribution
MDCK 0.0000359
BBB 0.675
PPB 0.858347
VDSS 0.825
Metabolism
FU 0.162179
CYP1A2-inh 0.061
CYP1A2-sub 0.944
CYP2c19-inh 0.053
CYP2c19-sub 0.903
CYP2c9-inh 0.037
CYP2c9-sub 0.399
CYP2d6-inh 0.02
CYP2d6-sub 0.809
CYP3a4-inh 0.42
CYP3a4-sub 0.899
Excretion
CL 9.462
T12 0.817
Toxicity
hERG 0.026
Ames 0.028
ROA 0.079
SkinSen 0.159
Carcinogencity 0.038
EI 0.014
Respiratory 0.01
NR-Aromatase 0.384
Antiviral Prediction
Antiviral No
Prediction 0.591942
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

Our Other Tools

  • Molecular Property Diagnostic Suite (MPDS)
  • North East India Medicinal Plant Database (NEI-MPDB)
  • Aromatic–Aromatic Interactions Database (A2ID)
  • Cation Aromatic Database (CAD)

Useful Links

  • CSIR-NEIST
  • CSIR
  • More Links

© Copyrights CSIR-NEIST. All rights reserved.