Literature summary for 4.1.3.1 extracted from

Song, J.; Jeong, W.; Wang, N.; Lee, H.; Sim, C.J.; Oh, K.; Shin, J.
Scalarane Sesterterpenes from the Sponge Smenospongia sp (2008), J. Nat. Prod., 71, 1866-1871.

Search for more literature for 4.1.3.1

Inhibitors

Inhibitors	Comment	Organism	Structure
(1S,4bS,10aR,12aS)-10a-[(acetyloxy)methyl]-1-formyl-4b,7,7,12a-tetramethyl-1,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysene-2-carboxylic acid	scarlarane sesterterpene, isolated from Smenospongia sp.	Candida albicans
(4S,5bR,11aS,13aS,13bR)-4-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-1-yl acetate	scarlarane sesterterpene, isolated from Smenospongia sp.	Candida albicans
(4S,5bS,11aR,13aS,13bR)-11a-formyl-4-hydroxy-5b,8,8,13a-tetramethyl-1,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-1-yl acetate	scarlarane sesterterpene, isolated from Smenospongia sp.	Candida albicans
(4S,5bS,11aR,13aS,13bR)-11a-[(acetyloxy)methyl]-5b,8,8,13a-tetramethyl-1,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-1,4-diyl diacetate	scarlarane sesterterpene, isolated from Smenospongia sp.	Candida albicans
(5bS,11aR,13aS,13bR)-11a-(hydroxymethyl)-5b,8,8,13a-tetramethyl-3-oxo-1,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-1-yl acetate	scarlarane sesterterpene, isolated from Smenospongia sp.	Candida albicans
(5E)-5-[(2R,6E,10E)-13-furan-3-yl-2,6,10-trimethyltrideca-6,10-dien-1-ylidene]-4-hydroxy-3-methylfuran-2(5H)-one	linear furanosesterterpene, isolated from Smenospongia sp.	Candida albicans
(5Z)-5-[(2R,5Z,9Z)-13-furan-3-yl-2,6,10-trimethyltrideca-5,9-dien-1-ylidene]-4-hydroxy-3-methylfuran-2(5H)-one	linear furanosesterterpene, isolated from Smenospongia sp.	Candida albicans
12-deacetoxy-23-acetoxy-19-O-acetylscalarin	cytotoxic, isolated from Smenospongia sp.	Candida albicans
12-deacetoxy-23-acetoxyscalarin	cytotoxic, isolated from Smenospongia sp.	Candida albicans
12-deacetoxy-23-hydroxyheteronemin	cytotoxic, isolated from Smenospongia sp.	Candida albicans
3-nitropropionate	-	Candida albicans
4-hydroxy-9-deoxoidiadione	cytotoxic, linear furanosesterterpene, isolated from Smenospongia sp.	Candida albicans
methyl (1R,4bS,10aR,12aS)-10a-[(acetyloxy)methyl]-1-formyl-4b,7,7,12a-tetramethyl-1,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysene-2-carboxylate	scarlarane sesterterpene, isolated from Smenospongia sp.	Candida albicans
methyl (1S,4bS,10aR,12aS)-10a-[(acetyloxy)methyl]-1-formyl-4b,7,7,12a-tetramethyl-1,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysene-2-carboxylate	scarlarane sesterterpene, isolated from Smenospongia sp.	Candida albicans
[(5bS,11aR,13aS)-5b,8,8,13a-tetramethyl-5,5a,5b,6,7,7a,8,9,10,11,11b,12,13,13a-tetradecahydrochryseno[1,2-c]furan-11a(4H)-yl]methanol	scarlarane sesterterpene, isolated from Smenospongia sp.	Candida albicans
[(5bS,11aR,13aS)-5b,8,8,13a-tetramethyl-5,5a,5b,6,7,7a,8,9,10,11,11b,12,13,13a-tetradecahydrochryseno[1,2-c]furan-11a(4H)-yl]methyl acetate	scarlarane sesterterpene, isolated from Smenospongia sp.	Candida albicans
[(5bS,11aR,13aS,13bR)-1-methoxy-5b,8,8,13a-tetramethyl-1,5,5a,5b,6,7,7a,8,9,10,11,11b,12,13,13a,13b-hexadecahydrochryseno[1,2-c]furan-11a(3H)-yl]methanol	scarlarane sesterterpene, isolated from Smenospongia sp.	Candida albicans

Organism

Organism	UniProt	Comment	Textmining
Candida albicans	-	-	-

Synonyms

Synonyms	Comment	Organism
citrate lyase	-	Candida albicans

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
additional information	-	0.006 mg/ml	Candida albicans	3-nitropropionate
additional information	-	0.027 mg/ml	Candida albicans	(5E)-5-[(2R,6E,10E)-13-furan-3-yl-2,6,10-trimethyltrideca-6,10-dien-1-ylidene]-4-hydroxy-3-methylfuran-2(5H)-one
additional information	-	0.0312 mg/ml	Candida albicans	(5Z)-5-[(2R,5Z,9Z)-13-furan-3-yl-2,6,10-trimethyltrideca-5,9-dien-1-ylidene]-4-hydroxy-3-methylfuran-2(5H)-one
additional information	-	0.042 mg/ml	Candida albicans	[(5bS,11aR,13aS,13bR)-1-methoxy-5b,8,8,13a-tetramethyl-1,5,5a,5b,6,7,7a,8,9,10,11,11b,12,13,13a,13b-hexadecahydrochryseno[1,2-c]furan-11a(3H)-yl]methanol
additional information	-	0.0457 mg/ml	Candida albicans	[(5bS,11aR,13aS)-5b,8,8,13a-tetramethyl-5,5a,5b,6,7,7a,8,9,10,11,11b,12,13,13a-tetradecahydrochryseno[1,2-c]furan-11a(4H)-yl]methanol
additional information	-	0.055 mg/ml	Candida albicans	methyl (1R,4bS,10aR,12aS)-10a-[(acetyloxy)methyl]-1-formyl-4b,7,7,12a-tetramethyl-1,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysene-2-carboxylate
additional information	-	0.0672 mg/ml	Candida albicans	12-deacetoxy-23-acetoxyscalarin
additional information	-	> 0.1 mg/ml	Candida albicans	(4S,5bR,11aS,13aS,13bR)-4-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-1-yl acetate
additional information	-	> 0.1 mg/ml	Candida albicans	(4S,5bS,11aR,13aS,13bR)-11a-formyl-4-hydroxy-5b,8,8,13a-tetramethyl-1,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-1-yl acetate
additional information	-	> 0.1 mg/ml	Candida albicans	(4S,5bS,11aR,13aS,13bR)-11a-[(acetyloxy)methyl]-5b,8,8,13a-tetramethyl-1,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-1,4-diyl diacetate
additional information	-	> 0.1 mg/ml	Candida albicans	(5bS,11aR,13aS,13bR)-11a-(hydroxymethyl)-5b,8,8,13a-tetramethyl-3-oxo-1,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-1-yl acetate
additional information	-	> 0.1 mg/ml	Candida albicans	12-deacetoxy-23-acetoxy-19-O-acetylscalarin
additional information	-	> 0.1 mg/ml	Candida albicans	12-deacetoxy-23-hydroxyheteronemin
additional information	-	> 0.1 mg/ml	Candida albicans	methyl (1S,4bS,10aR,12aS)-10a-[(acetyloxy)methyl]-1-formyl-4b,7,7,12a-tetramethyl-1,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysene-2-carboxylate
additional information	-	> 0.1 mg/ml	Candida albicans	[(5bS,11aR,13aS)-5b,8,8,13a-tetramethyl-5,5a,5b,6,7,7a,8,9,10,11,11b,12,13,13a-tetradecahydrochryseno[1,2-c]furan-11a(4H)-yl]methyl acetate
additional information	-	> 0.1 mg/ml	Candida albicans	4-hydroxy-9-deoxoidiadione

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Release 2023.1 (January 2023)