OSADHI - Online Structural and Analytics based Database for Herbs of India

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Chemoinformaics analysis of STRYCHNOCHRYSINE


Physiochemical Properties
Molecular Weight 583.756 nRot 3
Heavy Atom Molecular Weight 544.444 nRig 47
Exact Molecular Weight 583.307 nRing 10
Solubility: LogS -4.68 nHRing 7
Solubility: LogP 5.176 No. of Aliphatic Rings 6
Acid Count 0 No. of Aromatic Rings 4
Base Count 2 No. of Aliphatic Carbocycles Rings 1
Atoms Count 83 No. of Aliphatic Hetero Cycles 5
No. of Heavy Atom 44 No. of Aromatic Carbocycles 2
nHetero 6 No. of Aromatic Hetero Cycles 2
nBridge Head 2 No. Saturated Carbocycles 1
No. of Hydrogen atom 39 No. of Saturated Hetero Cycles 2
No. of Carbon atom 38 No. of Saturated Rings 3
No. of Nitrogen atom 4 No. of Arom Atom 21
No. of Oxygen atom 2 No. of Arom Bond 22
nHA 4 APOL 95.4689
nHD 3 BPOL 44.8251
Medicinal Chemistry Properties
QED 0.241
Synth 6.411
Natural Product Likeliness 2.119
NR-PPAR-gamma 0.004
Drug Likeliness
Lipinski Rejected
Pfizer Rejected
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.985
Pgp-sub 0.999
HIA 0.114
CACO-2 -5.596
Distribution
MDCK 0.0000327
BBB 0.719
PPB 0.942035
VDSS 2.338
Metabolism
FU 0.065732
CYP1A2-inh 0.035
CYP1A2-sub 0.19
CYP2c19-inh 0.017
CYP2c19-sub 0.359
CYP2c9-inh 0.009
CYP2c9-sub 0.065
CYP2d6-inh 0.944
CYP2d6-sub 0.892
CYP3a4-inh 0.044
CYP3a4-sub 0.884
Excretion
CL 8.404
T12 0.069
Toxicity
hERG 0.864
Ames 0.142
ROA 0.99
SkinSen 0.041
Carcinogencity 0.648
EI 0.005
Respiratory 0.96
NR-Aromatase 0.96
Antiviral Prediction
Antiviral Yes
Prediction 0.843913
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)
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