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

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Chemoinformaics analysis of LARICITRIN


Physiochemical Properties
Molecular Weight 332.264 nRot 2
Heavy Atom Molecular Weight 320.168 nRig 18
Exact Molecular Weight 332.053 nRing 3
Solubility: LogS -3.731 nHRing 1
Solubility: LogP 2.12 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 36 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 24 No. of Aromatic Carbocycles 2
nHetero 8 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 8 No. of Arom Bond 17
nHA 8 APOL 41.1375
nHD 5 BPOL 16.3785
Medicinal Chemistry Properties
QED 0.449
Synth 2.646
Natural Product Likeliness 1.745
NR-PPAR-gamma 0.963
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.01
Pgp-sub 0.035
HIA 0.07
CACO-2 -5.29
Distribution
MDCK 0.00000859
BBB 0.004
PPB 0.933325
VDSS 0.666
Metabolism
FU 0.122312
CYP1A2-inh 0.916
CYP1A2-sub 0.719
CYP2c19-inh 0.033
CYP2c19-sub 0.046
CYP2c9-inh 0.59
CYP2c9-sub 0.545
CYP2d6-inh 0.222
CYP2d6-sub 0.2
CYP3a4-inh 0.278
CYP3a4-sub 0.051
Excretion
CL 7.395
T12 0.934
Toxicity
hERG 0.165
Ames 0.478
ROA 0.04
SkinSen 0.919
Carcinogencity 0.024
EI 0.918
Respiratory 0.093
NR-Aromatase 0.895
Antiviral Prediction
Antiviral Yes
Prediction 0.85427
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

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