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

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Chemoinformaics analysis of SYRINGETIN


Physiochemical Properties
Molecular Weight 346.291 nRot 3
Heavy Atom Molecular Weight 332.179 nRig 18
Exact Molecular Weight 346.069 nRing 3
Solubility: LogS -3.817 nHRing 1
Solubility: LogP 2.463 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 39 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 25 No. of Aromatic Carbocycles 2
nHetero 8 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 0
No. of Carbon atom 17 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 8 No. of Arom Bond 17
nHA 8 APOL 44.1411
nHD 4 BPOL 20.1209
Medicinal Chemistry Properties
QED 0.568
Synth 2.541
Natural Product Likeliness 1.459
NR-PPAR-gamma 0.967
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.224
Pgp-sub 0.067
HIA 0.109
CACO-2 -5.149
Distribution
MDCK 0.0000112
BBB 0.004
PPB 0.920205
VDSS 0.799
Metabolism
FU 0.142987
CYP1A2-inh 0.901
CYP1A2-sub 0.94
CYP2c19-inh 0.052
CYP2c19-sub 0.055
CYP2c9-inh 0.611
CYP2c9-sub 0.757
CYP2d6-inh 0.361
CYP2d6-sub 0.304
CYP3a4-inh 0.456
CYP3a4-sub 0.106
Excretion
CL 6.437
T12 0.925
Toxicity
hERG 0.143
Ames 0.429
ROA 0.063
SkinSen 0.82
Carcinogencity 0.02
EI 0.894
Respiratory 0.13
NR-Aromatase 0.907
Antiviral Prediction
Antiviral Yes
Prediction 0.85427
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A database of all the medicinal plants having PAN India presence.
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