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

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Chemoinformaics analysis of 6-GLUCOSYL-LUTEOLIN


Physiochemical Properties
Molecular Weight 464.379 nRot 3
Heavy Atom Molecular Weight 444.219 nRig 24
Exact Molecular Weight 464.095 nRing 4
Solubility: LogS -3.295 nHRing 2
Solubility: LogP -0.476 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 53 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 33 No. of Aromatic Carbocycles 2
nHetero 12 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 20 No. of Saturated Hetero Cycles 1
No. of Carbon atom 21 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 12 No. of Arom Bond 17
nHA 12 APOL 58.0299
nHD 9 BPOL 24.4041
Medicinal Chemistry Properties
QED 0.211
Synth 4.51
Natural Product Likeliness 1.822
NR-PPAR-gamma 0.831
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.002
Pgp-sub 0.539
HIA 0.876
CACO-2 -6.228
Distribution
MDCK 0.0000101
BBB 0.042
PPB 0.873224
VDSS 1.014
Metabolism
FU 0.1372
CYP1A2-inh 0.055
CYP1A2-sub 0.07
CYP2c19-inh 0.011
CYP2c19-sub 0.046
CYP2c9-inh 0.01
CYP2c9-sub 0.298
CYP2d6-inh 0.015
CYP2d6-sub 0.17
CYP3a4-inh 0.07
CYP3a4-sub 0.013
Excretion
CL 5.451
T12 0.83
Toxicity
hERG 0.033
Ames 0.823
ROA 0.027
SkinSen 0.465
Carcinogencity 0.023
EI 0.022
Respiratory 0.033
NR-Aromatase 0.918
Antiviral Prediction
Antiviral Yes
Prediction 0.760374
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A database of all the medicinal plants having PAN India presence.
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