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 artoindonesianin V


Physiochemical Properties
Molecular Weight 570.682 nRot 6
Heavy Atom Molecular Weight 532.378 nRig 29
Exact Molecular Weight 570.262 nRing 5
Solubility: LogS -1.344 nHRing 2
Solubility: LogP 8.237 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 80 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 42 No. of Aromatic Carbocycles 2
nHetero 7 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 38 No. of Saturated Hetero Cycles 0
No. of Carbon atom 35 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 7 No. of Arom Bond 17
nHA 7 APOL 89.4021
nHD 4 BPOL 42.4619
Medicinal Chemistry Properties
QED 0.06
Synth 3.755
Natural Product Likeliness 2.495
NR-PPAR-gamma 0.784
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.971
Pgp-sub 0.028
HIA 0.811
CACO-2 -5.103
Distribution
MDCK 0.0000144
BBB 0.001
PPB 0.985591
VDSS 0.305
Metabolism
FU 0.048011
CYP1A2-inh 0.313
CYP1A2-sub 0.197
CYP2c19-inh 0.854
CYP2c19-sub 0.059
CYP2c9-inh 0.85
CYP2c9-sub 0.905
CYP2d6-inh 0.11
CYP2d6-sub 0.148
CYP3a4-inh 0.083
CYP3a4-sub 0.066
Excretion
CL 1.377
T12 0.116
Toxicity
hERG 0.004
Ames 0.369
ROA 0.757
SkinSen 0.896
Carcinogencity 0.348
EI 0.695
Respiratory 0.395
NR-Aromatase 0.971
Antiviral Prediction
Antiviral Yes
Prediction 0.88102
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.