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

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Chemoinformaics analysis of Cyanidin


Physiochemical Properties
Molecular Weight 287.247 nRot 1
Heavy Atom Molecular Weight 276.159 nRig 17
Exact Molecular Weight 287.055 nRing 3
Solubility: LogS -3.432 nHRing 1
Solubility: LogP 2.895 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 32 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 21 No. of Aromatic Carbocycles 2
nHetero 6 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 11 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 6 No. of Arom Bond 17
nHA 5 APOL 37.1967
nHD 5 BPOL 12.7713
Medicinal Chemistry Properties
QED 0.347
Synth 3.038
Natural Product Likeliness 1.745
NR-PPAR-gamma 0.837
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.012
Pgp-sub 0.022
HIA 0.028
CACO-2 -5.344
Distribution
MDCK 0.00000713
BBB 0.011
PPB 0.954309
VDSS 0.609
Metabolism
FU 0.056275
CYP1A2-inh 0.735
CYP1A2-sub 0.186
CYP2c19-inh 0.035
CYP2c19-sub 0.046
CYP2c9-inh 0.168
CYP2c9-sub 0.616
CYP2d6-inh 0.146
CYP2d6-sub 0.265
CYP3a4-inh 0.174
CYP3a4-sub 0.065
Excretion
CL 15.311
T12 0.928
Toxicity
hERG 0.085
Ames 0.607
ROA 0.096
SkinSen 0.941
Carcinogencity 0.069
EI 0.949
Respiratory 0.126
NR-Aromatase 0.928
Antiviral Prediction
Antiviral Yes
Prediction 0.777142
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A database of all the medicinal plants having PAN India presence.
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