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

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Chemoinformaics analysis of Hispidulin


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 -3.631 nHRing 1
Solubility: LogP 3.154 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 2.389
Natural Product Likeliness 1.485
NR-PPAR-gamma 0.962
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.011
Pgp-sub 0.928
HIA 0.017
CACO-2 -4.882
Distribution
MDCK 0.0000123
BBB 0.004
PPB 0.969623
VDSS 0.52
Metabolism
FU 0.0781472
CYP1A2-inh 0.971
CYP1A2-sub 0.824
CYP2c19-inh 0.391
CYP2c19-sub 0.059
CYP2c9-inh 0.686
CYP2c9-sub 0.894
CYP2d6-inh 0.676
CYP2d6-sub 0.495
CYP3a4-inh 0.524
CYP3a4-sub 0.156
Excretion
CL 4.798
T12 0.857
Toxicity
hERG 0.099
Ames 0.395
ROA 0.073
SkinSen 0.906
Carcinogencity 0.225
EI 0.924
Respiratory 0.241
NR-Aromatase 0.881
Antiviral Prediction
Antiviral Yes
Prediction 0.78615
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A database of all the medicinal plants having PAN India presence.
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