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 DIHYDROEUDESMOL


Physiochemical Properties
Molecular Weight 224.388 nRot 1
Heavy Atom Molecular Weight 196.164 nRig 11
Exact Molecular Weight 224.214 nRing 2
Solubility: LogS -3.767 nHRing 0
Solubility: LogP 4.363 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 2
Atoms Count 44 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 16 No. of Aromatic Carbocycles 0
nHetero 1 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 2
No. of Hydrogen atom 28 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 1 No. of Arom Bond 0
nHA 1 APOL 44.5222
nHD 1 BPOL 28.0898
Medicinal Chemistry Properties
QED 0.714
Synth 3.862
Natural Product Likeliness 2.633
NR-PPAR-gamma 0.003
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.013
Pgp-sub 0
HIA 0.004
CACO-2 -4.471
Distribution
MDCK 0.0000117
BBB 0.884
PPB 0.947726
VDSS 1.302
Metabolism
FU 0.047456
CYP1A2-inh 0.112
CYP1A2-sub 0.763
CYP2c19-inh 0.119
CYP2c19-sub 0.938
CYP2c9-inh 0.243
CYP2c9-sub 0.618
CYP2d6-inh 0.011
CYP2d6-sub 0.314
CYP3a4-inh 0.119
CYP3a4-sub 0.312
Excretion
CL 7.664
T12 0.161
Toxicity
hERG 0.018
Ames 0.008
ROA 0.018
SkinSen 0.408
Carcinogencity 0.04
EI 0.768
Respiratory 0.416
NR-Aromatase 0.011
Antiviral Prediction
Antiviral Yes
Prediction 0.793646
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.