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

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Chemoinformaics analysis of INDICAXANTHIN


Physiochemical Properties
Molecular Weight 308.29 nRot 4
Heavy Atom Molecular Weight 292.162 nRig 16
Exact Molecular Weight 308.101 nRing 2
Solubility: LogS -0.691 nHRing 2
Solubility: LogP -2.769 No. of Aliphatic Rings 2
Acid Count 3 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 38 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 22 No. of Aromatic Carbocycles 0
nHetero 8 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 16 No. of Saturated Hetero Cycles 1
No. of Carbon atom 14 No. of Saturated Rings 1
No. of Nitrogen atom 2 No. of Arom Atom 0
No. of Oxygen atom 6 No. of Arom Bond 0
nHA 5 APOL 41.0607
nHD 3 BPOL 21.8033
Medicinal Chemistry Properties
QED 0.62
Synth 5.228
Natural Product Likeliness 1.061
NR-PPAR-gamma 0.016
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0.017
HIA 0.963
CACO-2 -6.16
Distribution
MDCK 0.000101298
BBB 0.194
PPB 0.0786198
VDSS 0.475
Metabolism
FU 0.830363
CYP1A2-inh 0.004
CYP1A2-sub 0.024
CYP2c19-inh 0.014
CYP2c19-sub 0.042
CYP2c9-inh 0.112
CYP2c9-sub 0.072
CYP2d6-inh 0.022
CYP2d6-sub 0.101
CYP3a4-inh 0.01
CYP3a4-sub 0.005
Excretion
CL 2.088
T12 0.701
Toxicity
hERG 0.003
Ames 0.015
ROA 0.016
SkinSen 0.946
Carcinogencity 0.089
EI 0.81
Respiratory 0.969
NR-Aromatase 0.004
Antiviral Prediction
Antiviral Yes
Prediction 0.738342
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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