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

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Chemoinformaics analysis of Tectorigenin


Physiochemical Properties
Molecular Weight 300.266 nRot 2
Heavy Atom Molecular Weight 288.17 nRig 18
Exact Molecular Weight 300.063 nRing 3
Solubility: LogS -3.468 nHRing 1
Solubility: LogP 2.372 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 34 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 22 No. of Aromatic Carbocycles 2
nHetero 6 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 No. of Saturated Hetero Cycles 0
No. of Carbon atom 16 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 6 No. of Arom Bond 17
nHA 6 APOL 39.5335
nHD 3 BPOL 16.3785
Medicinal Chemistry Properties
QED 0.672
Synth 2.441
Natural Product Likeliness 1.484
NR-PPAR-gamma 0.957
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.003
Pgp-sub 0.662
HIA 0.008
CACO-2 -4.877
Distribution
MDCK 0.00000972
BBB 0.009
PPB 0.977885
VDSS 0.457
Metabolism
FU 0.0481255
CYP1A2-inh 0.952
CYP1A2-sub 0.638
CYP2c19-inh 0.459
CYP2c19-sub 0.055
CYP2c9-inh 0.755
CYP2c9-sub 0.88
CYP2d6-inh 0.735
CYP2d6-sub 0.401
CYP3a4-inh 0.516
CYP3a4-sub 0.129
Excretion
CL 5.636
T12 0.876
Toxicity
hERG 0.067
Ames 0.156
ROA 0.423
SkinSen 0.906
Carcinogencity 0.281
EI 0.936
Respiratory 0.078
NR-Aromatase 0.53
Antiviral Prediction
Antiviral Yes
Prediction 0.792396
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A database of all the medicinal plants having PAN India presence.
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