No.
S.mombin leaf extract(s) & Geraniin to which compound was identified
Name of compound
Molecular weight (g/mol)
Molecular formula
Retention Time (minutes)
Area%
Class of phytochemical
Lipophilicity (logP)
Water solubility ( mg/mL)
human gastrointestinal tract (GIT) absorption
Blood-Brain Barrier (BBB) permeability
Bioavailability score
Hydrogen bond (donors/ acceptors)
Drug likeness (Lipinski)
Leadlikeness
Pharmacological action
reference
1
SMEH
p-Cymene
134.22
C10H14
7.854
1.31
monoterpene
3.99
0.40 mg/mL
Low
Yes
0.55
0
Yes; 1 violation: MLOGP>4.15
No; 2 violations: MW<250, XLOGP3>3.5
Anticovid Antiviral, antioxidant,anti-inflammatory, anti-parasitic, anti-diabetic, anti-fungal and antitumor activities
(Panikar et al., 2021, Balahbib et al., 2021)
2
SMEH
p-Cymene
134.22
C10H14
7.854
1.31
monoterpene
3.99
0.40 mg/mL
Low
Yes
0.55
0
Yes; 1 violation: MLOGP>4.15
No; 2 violations: MW<250, XLOGP3>3.5
Anticovid Antiviral, antioxidant,anti-inflammatory, anti-parasitic, anti-diabetic, anti-fungal and antitumor activities
(Panikar et al., 2021, Balahbib et al., 2021)
3
SMEDCM
Thymol
150.22
C10H14O
10.595
0.50
monoterpenoid
2.80
0.98 mg/mL
High
Yes
0.55
1
Yes; 0 violation
No; 1 violation: MW<250
Antimicrobial, anti-inflammatory and anti-oxidant activity Antiviral SARS-CoV-2
(Braga et al., 2006, Rolta et al., 2021, Abdelli et al., 2021, Kulkarni et al., 2020)
4
SMMH and SMEH
L-.alpha.-Terpineol
154.25
C10H18O
9.337 9.336 0.44 1.40
monoterpenoid
2.58
2.4 mg/mL
High
Yes
0.55
1
Yes; 0 violation
No; 1 violation: MW<250
ANTI COVID Disinfectants, antioxidants medicines and constituent of flavourings
(Cours, 2020, Panikar et al., 2021)
5
SMMDCM
D-Limonene
136.23
C10H16
7.083
0.34
monoterpene
3.37
negligible
Low
Yes
0.55
0
Yes; 0 violation
No; 2 violations: MW<250, XLOGP3>3.5
antiCoVID Antimicrobial activity
(Panikar et al., 2021, Zahi et al., 2015)
6 Geraniin(98% w/w) 1,2-Benzenedicarboxylic acid, butyl 2-methylpropyl ester 278.34 C16H22O4 2.86 18.509 ester 3.62 N/A High Yes 0.55 4 Yes; 0 violation No; 2 violations: Rotors>7, XLOGP3>3.5 Antiviral and antimicrobial activity (Gunalan et al., 2014, FUNGI, Govindappa et al., 2014)