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

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Chemoinformaics analysis of DIHYDROMYRICETIN


Physiochemical Properties
Molecular Weight 320.253 nRot 1
Heavy Atom Molecular Weight 308.157 nRig 18
Exact Molecular Weight 320.053 nRing 3
Solubility: LogS -2.312 nHRing 1
Solubility: LogP 0.11 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 35 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 23 No. of Aromatic Carbocycles 2
nHetero 8 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 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 12
No. of Oxygen atom 8 No. of Arom Bond 12
nHA 8 APOL 39.4675
nHD 6 BPOL 14.6425
Medicinal Chemistry Properties
QED 0.425
Synth 3.718
Natural Product Likeliness 1.638
NR-PPAR-gamma 0.568
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.005
Pgp-sub 0.02
HIA 0.017
CACO-2 -6.338
Distribution
MDCK 0.00000394
BBB 0.023
PPB 0.874216
VDSS 0.595
Metabolism
FU 0.13105
CYP1A2-inh 0.029
CYP1A2-sub 0.089
CYP2c19-inh 0.021
CYP2c19-sub 0.051
CYP2c9-inh 0.291
CYP2c9-sub 0.538
CYP2d6-inh 0.035
CYP2d6-sub 0.201
CYP3a4-inh 0.098
CYP3a4-sub 0.185
Excretion
CL 8.145
T12 0.882
Toxicity
hERG 0.163
Ames 0.389
ROA 0.084
SkinSen 0.95
Carcinogencity 0.032
EI 0.909
Respiratory 0.238
NR-Aromatase 0.539
Antiviral Prediction
Antiviral Yes
Prediction 0.792458
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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