Terminology Service for NFDI4Health
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phomacin A

Go to external page http://purl.obolibrary.org/obo/CHEBI_66746

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 A

Synonyms
  • (3Z,5R,6S,7S,9E,10aS,13S,13aS,14S,16aR)-5,6-dihydroxy-7,9,12,13-tetramethyl-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,5R,6S,7S,9E,10aS,13S,13aS,14S,16aR)-5,6-dihydroxy-7,9,12,13-tetramethyl-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:66746

inchi

InChI=1S/C25H37NO5/c1-13(2)9-19-22-17(6)15(4)12-18-11-14(3)10-16(5)23(29)20(27)7-8-21(28)31-25(18,22)24(30)26-19/h7-8,11-13,16-20,22-23,27,29H,9-10H2,1-6H3,(H,26,30)/b8-7-,14-11+/t16-,17+,18-,19-,20+,22-,23-,25+/m0/s1

inchikey

CTCWWHNYPVOMQP-WXZOGCPCSA-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@@H](O)[C@@H](C)C\C(C)=C\2