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 Dihydrolycorine


Physiochemical Properties
Molecular Weight 289.331 nRot 0
Heavy Atom Molecular Weight 270.179 nRig 23
Exact Molecular Weight 289.131 nRing 5
Solubility: LogS -2.124 nHRing 3
Solubility: LogP 0.985 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 1
Base Count 1 No. of Aliphatic Carbocycles Rings 1
Atoms Count 40 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 21 No. of Aromatic Carbocycles 1
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 1
No. of Hydrogen atom 19 No. of Saturated Hetero Cycles 1
No. of Carbon atom 16 No. of Saturated Rings 2
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 4 No. of Arom Bond 6
nHA 5 APOL 43.6971
nHD 2 BPOL 24.2429
Medicinal Chemistry Properties
QED 0.741
Synth 4.077
Natural Product Likeliness 1.856
NR-PPAR-gamma 0.003
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.004
Pgp-sub 0.943
HIA 0.003
CACO-2 -4.848
Distribution
MDCK 0.0000174
BBB 0.934
PPB 0.503404
VDSS 3.203
Metabolism
FU 0.349098
CYP1A2-inh 0.702
CYP1A2-sub 0.85
CYP2c19-inh 0.068
CYP2c19-sub 0.877
CYP2c9-inh 0.008
CYP2c9-sub 0.457
CYP2d6-inh 0.902
CYP2d6-sub 0.782
CYP3a4-inh 0.163
CYP3a4-sub 0.419
Excretion
CL 16.773
T12 0.599
Toxicity
hERG 0.064
Ames 0.071
ROA 0.577
SkinSen 0.175
Carcinogencity 0.762
EI 0.018
Respiratory 0.924
NR-Aromatase 0.007
Antiviral Prediction
Antiviral Yes
Prediction 0.747552
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.