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mollicellin J

Go to external page http://purl.obolibrary.org/obo/CHEBI_68723

A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by a chloro group at position 2, hydroxy groups at position 3 and 7, methyl group at positions 1 and 9, a prenyl group at position 8, an oxo group at position 11 and a formyl group at position 4. Isolated from Chaetomium brasiliense it exhibits cytotoxic activity.

Term info

Label

mollicellin J

Synonyms
  • 2-chloro-3,7-dihydroxy-1,9-dimethyl-8-(3-methylbut-2-en-1-yl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde
database cross reference
Subsets

3_STAR

IUPAC NAME
2-chloro-3,7-dihydroxy-1,9-dimethyl-8-(3-methylbut-2-en-1-yl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde [ IUPAC ]

charge

0

formula

C21H19ClO6

has obo namespace

chebi_ontology

id

CHEBI:68723

inchi

InChI=1S/C21H19ClO6/c1-9(2)5-6-12-10(3)19-15(7-14(12)24)27-20-13(8-23)18(25)17(22)11(4)16(20)21(26)28-19/h5,7-8,24-25H,6H2,1-4H3

inchikey

NKSQSZYYPUIJDD-UHFFFAOYSA-N

mass

402.82500

monoisotopicmass

402.08702

smiles

CC(C)=CCc1c(O)cc2Oc3c(C=O)c(O)c(Cl)c(C)c3C(=O)Oc2c1C