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 cordifoline


Physiochemical Properties
Molecular Weight 586.55 nRot 8
Heavy Atom Molecular Weight 556.31 nRig 31
Exact Molecular Weight 586.18 nRing 5
Solubility: LogS -2.684 nHRing 4
Solubility: LogP 0.745 No. of Aliphatic Rings 2
Acid Count 1 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 72 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 42 No. of Aromatic Carbocycles 1
nHetero 14 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 30 No. of Saturated Hetero Cycles 1
No. of Carbon atom 28 No. of Saturated Rings 1
No. of Nitrogen atom 2 No. of Arom Atom 13
No. of Oxygen atom 12 No. of Arom Bond 15
nHA 12 APOL 78.5878
nHD 7 BPOL 40.4862
Medicinal Chemistry Properties
QED 0.146
Synth 5.105
Natural Product Likeliness 1.479
NR-PPAR-gamma 0.141
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.004
Pgp-sub 0.924
HIA 0.82
CACO-2 -6.302
Distribution
MDCK 0.00000508
BBB 0.136
PPB 0.858125
VDSS 0.434
Metabolism
FU 0.189709
CYP1A2-inh 0.026
CYP1A2-sub 0.604
CYP2c19-inh 0.028
CYP2c19-sub 0.051
CYP2c9-inh 0.004
CYP2c9-sub 0.048
CYP2d6-inh 0.004
CYP2d6-sub 0.082
CYP3a4-inh 0.073
CYP3a4-sub 0.028
Excretion
CL 1.288
T12 0.839
Toxicity
hERG 0.065
Ames 0.541
ROA 0.392
SkinSen 0.038
Carcinogencity 0.368
EI 0.01
Respiratory 0.939
NR-Aromatase 0.21
Antiviral Prediction
Antiviral Yes
Prediction 0.830067
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.