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 JULIPROSINENE


Physiochemical Properties
Molecular Weight 646.445 nRot 21
Heavy Atom Molecular Weight 577.901 nRig 22
Exact Molecular Weight 645.5 nRing 4
Solubility: LogS -4.308 nHRing 4
Solubility: LogP 7.414 No. of Aliphatic Rings 3
Acid Count 1 No. of Aromatic Rings 1
Base Count 3 No. of Aliphatic Carbocycles Rings 0
Atoms Count 113 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 45 No. of Aromatic Carbocycles 0
nHetero 6 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 68 No. of Saturated Hetero Cycles 2
No. of Carbon atom 39 No. of Saturated Rings 2
No. of Nitrogen atom 3 No. of Arom Atom 6
No. of Oxygen atom 2 No. of Arom Bond 6
nHA 4 APOL 117.556
nHD 4 BPOL 71.0681
Medicinal Chemistry Properties
QED 0.085
Synth 4.976
Natural Product Likeliness 1.416
NR-PPAR-gamma 0.016
Drug Likeliness
Lipinski Rejected
Pfizer Rejected
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 1
HIA 0.976
CACO-2 -5.627
Distribution
MDCK 0.0000161
BBB 0.002
PPB 0.948201
VDSS 0.903
Metabolism
FU 0.0334086
CYP1A2-inh 0.037
CYP1A2-sub 0.615
CYP2c19-inh 0.062
CYP2c19-sub 0.055
CYP2c9-inh 0.005
CYP2c9-sub 0.047
CYP2d6-inh 0.994
CYP2d6-sub 0.919
CYP3a4-inh 0.037
CYP3a4-sub 0.109
Excretion
CL 3.383
T12 0.036
Toxicity
hERG 0.813
Ames 0.01
ROA 0.224
SkinSen 0.966
Carcinogencity 0.013
EI 0.005
Respiratory 0.832
NR-Aromatase 0.985
Antiviral Prediction
Antiviral No
Prediction 0.559586
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.