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 Uralenneoside


Physiochemical Properties
Molecular Weight 286.236 nRot 2
Heavy Atom Molecular Weight 272.124 nRig 13
Exact Molecular Weight 286.069 nRing 2
Solubility: LogS -1.422 nHRing 1
Solubility: LogP -0.289 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 34 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 20 No. of Aromatic Carbocycles 1
nHetero 8 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 1
No. of Carbon atom 12 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 6
No. of Oxygen atom 8 No. of Arom Bond 6
nHA 8 APOL 35.7911
nHD 5 BPOL 18.3849
Medicinal Chemistry Properties
QED 0.334
Synth 3.492
Natural Product Likeliness 1.807
NR-PPAR-gamma 0.007
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.002
Pgp-sub 0.445
HIA 0.589
CACO-2 -6.069
Distribution
MDCK 0.0000316
BBB 0.382
PPB 0.675627
VDSS 0.721
Metabolism
FU 0.389831
CYP1A2-inh 0.122
CYP1A2-sub 0.04
CYP2c19-inh 0.03
CYP2c19-sub 0.057
CYP2c9-inh 0.008
CYP2c9-sub 0.21
CYP2d6-inh 0.018
CYP2d6-sub 0.17
CYP3a4-inh 0.02
CYP3a4-sub 0.018
Excretion
CL 6.093
T12 0.88
Toxicity
hERG 0.05
Ames 0.479
ROA 0.033
SkinSen 0.853
Carcinogencity 0.048
EI 0.794
Respiratory 0.029
NR-Aromatase 0.019
Antiviral Prediction
Antiviral Yes
Prediction 0.622527
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.