Verrulactone

Verrulactone

Chemical structure of verrulactone A
Identifiers
CAS Number	A: 1369367-58-7 N[EPA] B: 1369367-59-8 N[EPA]
3D model (JSmol)	A: Interactive image B: Interactive image
ChEBI	A: CHEBI:206505 B: CHEBI:199104
ChEMBL	A: ChEMBL2011360 B: ChEMBL2011361
ChemSpider	A: 28289569 B: 28516662
ECHA InfoCard
E number
PubChem CID	A: 57404538 B: 57404245
CompTox Dashboard (EPA)	{{#property:P3117}} A: DTXSID401336395
InChI A: InChI=1S/C28H18O12/c1-37-9-3-11-19(13(29)5-9)27(35)39-17-7-15(31)25(33)23(21(11)17)24-22-12-4-10(38-2)6-14(30)20(12)28(36)40-18(22)8-16(32)26(24)34/h3-8,29-34H,1-2H3 Key: ZSHZQCWUSDSOFB-UHFFFAOYSA-N B: InChI=1S/C28H18O12/c1-37-9-3-11-12-7-16(31)25(34)23(26(12)40-28(36)19(11)14(29)5-9)22-21-13-4-10(38-2)6-15(30)20(13)27(35)39-18(21)8-17(32)24(22)33/h3-8,29-34H,1-2H3 Key: KILSNFDREQHTBU-UHFFFAOYSA-N
SMILES A: COC1=CC2=C(C(=C1)O)C(=O)OC3=C2C(=C(C(=C3)O)O)C4=C(C(=CC5=C4C6=C(C(=CC(=C6)OC)O)C(=O)O5)O)O B: COC1=CC2=C(C(=C1)O)C(=O)OC3=C(C(=C(C=C23)O)O)C4=C(C(=CC5=C4C6=C(C(=CC(=C6)OC)O)C(=O)O5)O)O
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Verrulactones are alternariol-derived antimicrobial chemical compounds isolated from Penicillium.

External links

• ChemSpider - Verrulactone A