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phomacin B

Go to external page http://purl.obolibrary.org/obo/CHEBI_66747

A cytochalasin isolated from a fungus Phoma sp. that has been shown to possess potent inhibitory activity against HT-29 colonic adenocarcinoma cells.

Term info

Label

phomacin B

Synonyms
  • (3Z,5S,7S,9E,10aS,13S,13aS,14S,16aR)-5-hydroxy-7-(hydroxymethyl)-9,12,13-trimethyl-14-(2-methylpropyl)-6,7,8,10a,13,13a,14,15-octahydro-2H-oxacyclododecino[2,3-d]isoindole-2,16(5H)-dione
database cross reference
Subsets

3_STAR

IUPAC NAME
(3Z,5S,7S,9E,10aS,13S,13aS,14S,16aR)-5-hydroxy-7-(hydroxymethyl)-9,12,13-trimethyl-14-(2-methylpropyl)-6,7,8,10a,13,13a,14,15-octahydro-2H-oxacyclododecino[2,3-d]isoindole-2,16(5H)-dione [ IUPAC ]

charge

0

formula

C25H37NO5

has obo namespace

chebi_ontology

id

CHEBI:66747

inchi

InChI=1S/C25H37NO5/c1-14(2)8-21-23-17(5)16(4)11-19-10-15(3)9-18(13-27)12-20(28)6-7-22(29)31-25(19,23)24(30)26-21/h6-7,10-11,14,17-21,23,27-28H,8-9,12-13H2,1-5H3,(H,26,30)/b7-6-,15-10+/t17-,18+,19+,20-,21+,23+,25-/m1/s1

inchikey

IXONDWQZWWLZDF-ZCMVJGEESA-N

mass

431.56500

monoisotopicmass

431.26717

smiles

[H][C@]12C=C(C)[C@@H](C)[C@@]3([H])[C@H](CC(C)C)NC(=O)[C@@]13OC(=O)\C=C/[C@@H](O)C[C@@H](CO)C\C(C)=C\2