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 Clauszoline H


Physiochemical Properties
Molecular Weight 293.366 nRot 1
Heavy Atom Molecular Weight 274.214 nRig 20
Exact Molecular Weight 293.142 nRing 4
Solubility: LogS -5.344 nHRing 2
Solubility: LogP 5.685 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 41 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 22 No. of Aromatic Carbocycles 2
nHetero 3 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 19 No. of Saturated Hetero Cycles 0
No. of Carbon atom 19 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 13
No. of Oxygen atom 2 No. of Arom Bond 15
nHA 2 APOL 47.1031
nHD 1 BPOL 23.1029
Medicinal Chemistry Properties
QED 0.698
Synth 2.804
Natural Product Likeliness 1.399
NR-PPAR-gamma 0.406
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.949
Pgp-sub 0.017
HIA 0.037
CACO-2 -4.989
Distribution
MDCK 0.0000162
BBB 0.457
PPB 0.979345
VDSS 0.805
Metabolism
FU 0.0156272
CYP1A2-inh 0.982
CYP1A2-sub 0.957
CYP2c19-inh 0.919
CYP2c19-sub 0.52
CYP2c9-inh 0.821
CYP2c9-sub 0.925
CYP2d6-inh 0.927
CYP2d6-sub 0.906
CYP3a4-inh 0.823
CYP3a4-sub 0.65
Excretion
CL 4.081
T12 0.163
Toxicity
hERG 0.34
Ames 0.669
ROA 0.967
SkinSen 0.328
Carcinogencity 0.917
EI 0.275
Respiratory 0.966
NR-Aromatase 0.829
Antiviral Prediction
Antiviral Yes
Prediction 0.70545
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.