Isoemericellin

Isoemericellin
Names
	Preferred IUPAC name 8-Hydroxy-1-(hydroxymethyl)-3-methyl-7-(3-methylbut-2-en-1-yl)-2-[(3-methylbut-2-en-1-yl)oxy]-9H-xanthen-9-one
Identifiers
CAS Number	594860-24-9 [ [1] ];
3D model (JSmol)	Interactive image ;
ChEBI	CHEBI:227314 ;
ChemSpider	552896 ;
PubChem CID	637262 ;
CompTox Dashboard (EPA)	DTXSID201045538 ;
	InChI InChI=1S/C25H28O5/c1-14(2)6-7-17-8-9-19-22(23(17)27)24(28)21-18(13-26)25(29-11-10-15(3)4)16(5)12-20(21)30-19/h6,8-10,12,26-27H,7,11,13H2,1-5H3 Key: MDBQNLFOBADTEY-UHFFFAOYSA-N; InChI=1/C25H28O5/c1-14(2)6-7-17-8-9-19-22(23(17)27)24(28)21-18(13-26)25(29-11-10-15(3)4)16(5)12-20(21)30-19/h6,8-10,12,26-27H,7,11,13H2,1-5H3 Key: MDBQNLFOBADTEY-UHFFFAOYAR;
	SMILES C/C(C)=C\Cc3ccc2Oc1cc(C)c(OC\C=C(/C)C)c(CO)c1C(=O)c2c3O;
Properties
Chemical formula	C25H28O5
Molar mass	408.494 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Last updated June 01, 2025

Isoemericellin is a chemical compound isolated from the marine fungus Emericella variecolor.^[2]

References

↑ "KNApSAcK Metabolite Information - C00047927". www.knapsackfamily.com.
↑ Bringmann, G.; Lang, G.; Steffens, S.; Günther, E.; Schaumann, K. (2003). "Evariquinone, isoemericellin, and stromemycin from a sponge derived strain of the fungus Emericella variecolor". Phytochemistry. 63 (4): 437–443. Bibcode:2003PChem..63..437B. doi:10.1016/s0031-9422(03)00189-4. PMID 12770594.

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[1] "KNApSAcK Metabolite Information - C00047927". www.knapsackfamily.com.

[2] Bringmann, G.; Lang, G.; Steffens, S.; Günther, E.; Schaumann, K. (2003). "Evariquinone, isoemericellin, and stromemycin from a sponge derived strain of the fungus Emericella variecolor". Phytochemistry. 63 (4): 437–443. Bibcode:2003PChem..63..437B. doi:10.1016/s0031-9422(03)00189-4. PMID 12770594.

[2]

Names

Preferred IUPAC name 8-Hydroxy-1-(hydroxymethyl)-3-methyl-7-(3-methylbut-2-en-1-yl)-2-[(3-methylbut-2-en-1-yl)oxy]-9H-xanthen-9-one
Identifiers
CAS Number	594860-24-9 ^{N[ [1]}]
3D model (JSmol)	Interactive image
ChEBI	CHEBI:227314
ChemSpider	552896
PubChem CID	637262
CompTox Dashboard (EPA)	DTXSID201045538
InChI InChI=1S/C25H28O5/c1-14(2)6-7-17-8-9-19-22(23(17)27)24(28)21-18(13-26)25(29-11-10-15(3)4)16(5)12-20(21)30-19/h6,8-10,12,26-27H,7,11,13H2,1-5H3 Key: MDBQNLFOBADTEY-UHFFFAOYSA-N InChI=1/C25H28O5/c1-14(2)6-7-17-8-9-19-22(23(17)27)24(28)21-18(13-26)25(29-11-10-15(3)4)16(5)12-20(21)30-19/h6,8-10,12,26-27H,7,11,13H2,1-5H3 Key: MDBQNLFOBADTEY-UHFFFAOYAR
SMILES C/C(C)=C\Cc3ccc2Oc1cc(C)c(OC\C=C(/C)C)c(CO)c1C(=O)c2c3O
Properties
Chemical formula	C₂₅H₂₈O₅
Molar mass	408.494 g·mol⁻¹
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references