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CHEBI:197976 - Okaramine B

Default Structure
ChEBI IDCHEBI:197976
ChEBI NameOkaramine B
Stars
Last Modified4 November 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H34N4O5
Net Charge0
Average Mass566.658
Monoisotopic Mass566.25292
SMILESCO[C@@H]1[C@]2(O)C(=O)N3/C=C\C(C)(C)c4nc5ccccc5c4/C=C\3C(=O)N2[C@]23[C@H](C)C(C)(C)N2c2ccccc2[C@]13O
InChIInChI=1S/C33H34N4O5/c1-18-30(4,5)36-23-14-10-8-12-21(23)31(40)27(42-6)32(41)28(39)35-16-15-29(2,3)25-20(19-11-7-9-13-22(19)34-25)17-24(35)26(38)37(32)33(18,31)36/h7-18,27,34,40-41H,1-6H3/b16-15-,24-17-/t18-,27+,31+,32+,33+/m1/s1
InChIKeyPNJDFZNVNWQTFD-KTJJPEJQSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1080/00021369.1989.10869287)
ChEBI Ontology
Outgoing Relation(s)
Okaramine B (CHEBI:197976) is a pyrroloindole (CHEBI:48133)
Incoming Relation(s)
3-desmethyl okaramine B (CHEBI:232467) has functional parent Okaramine B (CHEBI:197976)
IUPAC Name 
(1Z,4S,5R,14R,15S,16S,19Z)-14,16-dihydroxy-15-methoxy-5,6,6,21,21-pentamethyl-3,7,18,23-tetrazaoctacyclo[16.13.0.03,16.04,7.04,14.08,13.022,30.024,29]hentriaconta-1(31),8,10,12,19,22(30),24,26,28-nonaene-2,17-dione
UniProt Name  Source
okaramine BUniProt
Manual XrefsDatabases
23326454ChemSpider