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. 2022 Aug 3;27(15):4950. doi: 10.3390/molecules27154950

Table 5.

Pharmacophore model screening results.

Compound Fit Value
5-demethoxy-10′-ethoxyexotimarin F (1) 2.90864
exotimarin G (2) 2.76624
isomurralonginol nicotinate (25) 2.73866
muralatin P (27) 2.63347
muralatin O (13) 2.61354
murradimerin A (32) 2.61125
isomurranganonsenecioate (14) 2.50786
yuehgesin-C (17) 2.49509
paniculonol isovalerate (11) 2.16367
2′-O-ethylmurrangatin (15) 1.8576
muralatin K (16) 1.70339
hainanmurpanin (7) 1.51473
auraptenol (18) 1.23251
pranferin (31) 1.2031
murranganon (19) 1.14868
isomeranzin (10) 0.912292
murrangatin (28) 0.79533
murrangatin acetate (21) 0.734945
minumicrolin (30) 0.725833
meranzin (5) 0.536345
albiflorin-3 (22) 0.476371
osthol (4) 0.316498
isomurralonginol (24) 0.265571
phebalosin (6) 0.244483
isomurralonginol acetate (9) 0.209117
trans-dehydroosthol (3) 0.104663
7-methoxy-8-(2-formyl-2-methylpropyl)coumarin (12) 0.0957507