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 Ginsenoyne K


Physiochemical Properties
Molecular Weight 276.376 nRot 9
Heavy Atom Molecular Weight 252.184 nRig 9
Exact Molecular Weight 276.173 nRing 0
Solubility: LogS -0.947 nHRing 0
Solubility: LogP 1.531 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 44 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 20 No. of Aromatic Carbocycles 0
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 24 No. of Saturated Hetero Cycles 0
No. of Carbon atom 17 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 3 No. of Arom Bond 0
nHA 3 APOL 46.799
nHD 2 BPOL 24.077
Medicinal Chemistry Properties
QED 0.474
Synth 2.936
Natural Product Likeliness 0.349
NR-PPAR-gamma 0.002
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.001
Pgp-sub 0.123
HIA 0.005
CACO-2 -4.419
Distribution
MDCK 0.0000127
BBB 0.945
PPB 0.128345
VDSS 2.444
Metabolism
FU 0.766886
CYP1A2-inh 0.037
CYP1A2-sub 0.2
CYP2c19-inh 0.021
CYP2c19-sub 0.912
CYP2c9-inh 0.001
CYP2c9-sub 0.069
CYP2d6-inh 0.894
CYP2d6-sub 0.884
CYP3a4-inh 0.002
CYP3a4-sub 0.489
Excretion
CL 15.468
T12 0.492
Toxicity
hERG 0.02
Ames 0.032
ROA 0.647
SkinSen 0.46
Carcinogencity 0.676
EI 0.782
Respiratory 0.965
NR-Aromatase 0.003
Antiviral Prediction
Antiviral Yes
Prediction 0.771267
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.