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 panaxydol


Physiochemical Properties
Molecular Weight 210.317 nRot 6
Heavy Atom Molecular Weight 188.141 nRig 1
Exact Molecular Weight 210.162 nRing 0
Solubility: LogS -3.635 nHRing 0
Solubility: LogP 3.763 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 37 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 15 No. of Aromatic Carbocycles 0
nHetero 2 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 22 No. of Saturated Hetero Cycles 0
No. of Carbon atom 13 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 2 No. of Arom Bond 0
nHA 2 APOL 37.9834
nHD 0 BPOL 24.6746
Medicinal Chemistry Properties
QED 0.436
Synth 1.57
Natural Product Likeliness 0.401
NR-PPAR-gamma 0.01
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.351
Pgp-sub 0.008
HIA 0.003
CACO-2 -4.449
Distribution
MDCK 0.0000245
BBB 0.992
PPB 0.874932
VDSS 0.619
Metabolism
FU 0.150192
CYP1A2-inh 0.974
CYP1A2-sub 0.746
CYP2c19-inh 0.686
CYP2c19-sub 0.713
CYP2c9-inh 0.487
CYP2c9-sub 0.885
CYP2d6-inh 0.02
CYP2d6-sub 0.138
CYP3a4-inh 0.119
CYP3a4-sub 0.151
Excretion
CL 8.359
T12 0.764
Toxicity
hERG 0.06
Ames 0.008
ROA 0.05
SkinSen 0.909
Carcinogencity 0.228
EI 0.978
Respiratory 0.561
NR-Aromatase 0.018
Antiviral Prediction
Antiviral Yes
Prediction 0.67055
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.