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 SYLVATESMIN


Physiochemical Properties
Molecular Weight 372.417 nRot 5
Heavy Atom Molecular Weight 348.225 nRig 21
Exact Molecular Weight 372.157 nRing 4
Solubility: LogS -4.385 nHRing 2
Solubility: LogP 2.384 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 51 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 27 No. of Aromatic Carbocycles 2
nHetero 6 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 24 No. of Saturated Hetero Cycles 2
No. of Carbon atom 21 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 6 No. of Arom Bond 12
nHA 6 APOL 55.885
nHD 1 BPOL 32.757
Medicinal Chemistry Properties
QED 0.867
Synth 3.578
Natural Product Likeliness 0.936
NR-PPAR-gamma 0.01
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.822
Pgp-sub 0.032
HIA 0.005
CACO-2 -4.854
Distribution
MDCK 0.0000637
BBB 0.125
PPB 0.926605
VDSS 1.139
Metabolism
FU 0.0574745
CYP1A2-inh 0.032
CYP1A2-sub 0.941
CYP2c19-inh 0.225
CYP2c19-sub 0.899
CYP2c9-inh 0.296
CYP2c9-sub 0.801
CYP2d6-inh 0.242
CYP2d6-sub 0.916
CYP3a4-inh 0.602
CYP3a4-sub 0.709
Excretion
CL 6.164
T12 0.293
Toxicity
hERG 0.218
Ames 0.274
ROA 0.202
SkinSen 0.602
Carcinogencity 0.25
EI 0.146
Respiratory 0.335
NR-Aromatase 0.791
Antiviral Prediction
Antiviral No
Prediction 0.549237
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.