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 Sanguinine


Physiochemical Properties
Molecular Weight 273.332 nRot 0
Heavy Atom Molecular Weight 254.18 nRig 20
Exact Molecular Weight 273.137 nRing 4
Solubility: LogS -1.655 nHRing 2
Solubility: LogP 1.053 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 1
Base Count 1 No. of Aliphatic Carbocycles Rings 1
Atoms Count 39 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 20 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 19 No. of Saturated Hetero Cycles 0
No. of Carbon atom 16 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 3 No. of Arom Bond 6
nHA 4 APOL 42.8951
nHD 2 BPOL 22.5069
Medicinal Chemistry Properties
QED 0.704
Synth 4.347
Natural Product Likeliness 2.443
NR-PPAR-gamma 0.025
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0.879
HIA 0.008
CACO-2 -5.168
Distribution
MDCK 0.000012
BBB 0.999
PPB 0.194322
VDSS 2.533
Metabolism
FU 0.798329
CYP1A2-inh 0.197
CYP1A2-sub 0.545
CYP2c19-inh 0.027
CYP2c19-sub 0.883
CYP2c9-inh 0.014
CYP2c9-sub 0.536
CYP2d6-inh 0.784
CYP2d6-sub 0.909
CYP3a4-inh 0.033
CYP3a4-sub 0.612
Excretion
CL 5.907
T12 0.615
Toxicity
hERG 0.419
Ames 0.021
ROA 0.758
SkinSen 0.842
Carcinogencity 0.137
EI 0.013
Respiratory 0.951
NR-Aromatase 0.357
Antiviral Prediction
Antiviral Yes
Prediction 0.731418
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.