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 ARTOFLAVANONE


Physiochemical Properties
Molecular Weight 428.481 nRot 7
Heavy Atom Molecular Weight 400.257 nRig 19
Exact Molecular Weight 428.184 nRing 3
Solubility: LogS -5.199 nHRing 1
Solubility: LogP 4.745 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 59 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 31 No. of Aromatic Carbocycles 2
nHetero 7 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 28 No. of Saturated Hetero Cycles 0
No. of Carbon atom 24 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 7 No. of Arom Bond 12
nHA 7 APOL 64.3642
nHD 1 BPOL 37.6378
Medicinal Chemistry Properties
QED 0.643
Synth 3.185
Natural Product Likeliness 1.796
NR-PPAR-gamma 0.522
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.597
Pgp-sub 0.014
HIA 0.017
CACO-2 -4.683
Distribution
MDCK 0.0000139
BBB 0.035
PPB 0.765724
VDSS 0.769
Metabolism
FU 0.216428
CYP1A2-inh 0.064
CYP1A2-sub 0.958
CYP2c19-inh 0.887
CYP2c19-sub 0.893
CYP2c9-inh 0.888
CYP2c9-sub 0.908
CYP2d6-inh 0.106
CYP2d6-sub 0.826
CYP3a4-inh 0.735
CYP3a4-sub 0.789
Excretion
CL 11.217
T12 0.226
Toxicity
hERG 0.023
Ames 0.034
ROA 0.642
SkinSen 0.695
Carcinogencity 0.049
EI 0.028
Respiratory 0.883
NR-Aromatase 0.602
Antiviral Prediction
Antiviral Yes
Prediction 0.823459
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.