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 Myricoside


Physiochemical Properties
Molecular Weight 756.707 nRot 13
Heavy Atom Molecular Weight 712.355 nRig 31
Exact Molecular Weight 756.248 nRing 5
Solubility: LogS -1.573 nHRing 3
Solubility: LogP -0.682 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 97 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 53 No. of Aromatic Carbocycles 2
nHetero 19 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 44 No. of Saturated Hetero Cycles 3
No. of Carbon atom 34 No. of Saturated Rings 3
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 19 No. of Arom Bond 12
nHA 19 APOL 101.357
nHD 11 BPOL 57.1611
Medicinal Chemistry Properties
QED 0.057
Synth 5.384
Natural Product Likeliness 1.871
NR-PPAR-gamma 0.957
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.002
Pgp-sub 0.963
HIA 0.999
CACO-2 -6.561
Distribution
MDCK 0.0000799
BBB 0.244
PPB 0.873302
VDSS 0.26
Metabolism
FU 0.247211
CYP1A2-inh 0.002
CYP1A2-sub 0.015
CYP2c19-inh 0.011
CYP2c19-sub 0.05
CYP2c9-inh 0.002
CYP2c9-sub 0.129
CYP2d6-inh 0.001
CYP2d6-sub 0.148
CYP3a4-inh 0.029
CYP3a4-sub 0.019
Excretion
CL 0.44
T12 0.712
Toxicity
hERG 0.021
Ames 0.169
ROA 0.081
SkinSen 0.383
Carcinogencity 0.063
EI 0.003
Respiratory 0.007
NR-Aromatase 0.926
Antiviral Prediction
Antiviral Yes
Prediction 0.661871
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.