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 OSMUNDALIN


Physiochemical Properties
Molecular Weight 290.268 nRot 3
Heavy Atom Molecular Weight 272.124 nRig 13
Exact Molecular Weight 290.1 nRing 2
Solubility: LogS -0.481 nHRing 2
Solubility: LogP -1.744 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 38 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 20 No. of Aromatic Carbocycles 0
nHetero 8 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 18 No. of Saturated Hetero Cycles 1
No. of Carbon atom 12 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 8 No. of Arom Bond 0
nHA 8 APOL 38.4583
nHD 4 BPOL 24.1337
Medicinal Chemistry Properties
QED 0.427
Synth 4.378
Natural Product Likeliness 2.92
NR-PPAR-gamma 0.078
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0.144
HIA 0.908
CACO-2 -5.613
Distribution
MDCK 0.000215708
BBB 0.497
PPB 0.147932
VDSS 0.451
Metabolism
FU 0.714421
CYP1A2-inh 0.008
CYP1A2-sub 0.041
CYP2c19-inh 0.015
CYP2c19-sub 0.281
CYP2c9-inh 0.001
CYP2c9-sub 0.168
CYP2d6-inh 0.002
CYP2d6-sub 0.143
CYP3a4-inh 0.01
CYP3a4-sub 0.063
Excretion
CL 1.731
T12 0.611
Toxicity
hERG 0.01
Ames 0.093
ROA 0.478
SkinSen 0.055
Carcinogencity 0.222
EI 0.01
Respiratory 0.167
NR-Aromatase 0.017
Antiviral Prediction
Antiviral Yes
Prediction 0.724409
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.