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

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Chemoinformaics analysis of 6-HydroxyLuteolin


Physiochemical Properties
Molecular Weight 302.238 nRot 1
Heavy Atom Molecular Weight 292.158 nRig 18
Exact Molecular Weight 302.043 nRing 3
Solubility: LogS -3.521 nHRing 1
Solubility: LogP 2.33 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 32 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 22 No. of Aromatic Carbocycles 2
nHetero 7 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 10 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 7 No. of Arom Bond 17
nHA 7 APOL 37.3319
nHD 5 BPOL 12.6361
Medicinal Chemistry Properties
QED 0.434
Synth 2.556
Natural Product Likeliness 1.522
NR-PPAR-gamma 0.965
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.004
Pgp-sub 0.089
HIA 0.165
CACO-2 -5.203
Distribution
MDCK 0.00000786
BBB 0.002
PPB 0.951488
VDSS 0.575
Metabolism
FU 0.0993751
CYP1A2-inh 0.935
CYP1A2-sub 0.13
CYP2c19-inh 0.032
CYP2c19-sub 0.045
CYP2c9-inh 0.552
CYP2c9-sub 0.368
CYP2d6-inh 0.14
CYP2d6-sub 0.202
CYP3a4-inh 0.118
CYP3a4-sub 0.048
Excretion
CL 7.368
T12 0.922
Toxicity
hERG 0.076
Ames 0.562
ROA 0.038
SkinSen 0.956
Carcinogencity 0.103
EI 0.934
Respiratory 0.129
NR-Aromatase 0.898
Antiviral Prediction
Antiviral Yes
Prediction 0.73543
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