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 NORDALBERGIN


Physiochemical Properties
Molecular Weight 254.241 nRot 1
Heavy Atom Molecular Weight 244.161 nRig 18
Exact Molecular Weight 254.058 nRing 3
Solubility: LogS -3.419 nHRing 1
Solubility: LogP 2.724 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 29 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 19 No. of Aromatic Carbocycles 2
nHetero 4 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 10 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 4 No. of Arom Bond 17
nHA 4 APOL 34.9259
nHD 2 BPOL 12.6361
Medicinal Chemistry Properties
QED 0.517
Synth 2.01
Natural Product Likeliness 0.507
NR-PPAR-gamma 0.892
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.004
Pgp-sub 0.489
HIA 0.009
CACO-2 -4.847
Distribution
MDCK 0.0000149
BBB 0.063
PPB 0.973744
VDSS 0.441
Metabolism
FU 0.021423
CYP1A2-inh 0.976
CYP1A2-sub 0.615
CYP2c19-inh 0.432
CYP2c19-sub 0.058
CYP2c9-inh 0.432
CYP2c9-sub 0.761
CYP2d6-inh 0.813
CYP2d6-sub 0.638
CYP3a4-inh 0.509
CYP3a4-sub 0.152
Excretion
CL 12.958
T12 0.825
Toxicity
hERG 0.092
Ames 0.168
ROA 0.255
SkinSen 0.932
Carcinogencity 0.358
EI 0.963
Respiratory 0.243
NR-Aromatase 0.534
Antiviral Prediction
Antiviral Yes
Prediction 0.75987
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.