Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 00:12:14 UTC
Update Date2022-08-31 06:26:09 UTC
Metabolite IDMMDBc0006803
Metabolite Identification
Common NameHerqueiazole
DescriptionHerqueiazole belongs to the class of organic compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Based on a literature review very few articles have been published on Herqueiazole.
Structure
SynonymsNot Available
Molecular FormulaC22H21NO5
Average Mass379.412
Monoisotopic Mass379.14197278
IUPAC Name(15S,17S)-9,17-dihydroxy-5,11,15,16,16-pentamethyl-14-oxa-4-azapentacyclo[10.6.1.0^{3,7}.0^{8,19}.0^{13,17}]nonadeca-1(19),3(7),5,8,10,12-hexaene-2,18-dione
Traditional Name(15S,17S)-9,17-dihydroxy-5,11,15,16,16-pentamethyl-14-oxa-4-azapentacyclo[10.6.1.0^{3,7}.0^{8,19}.0^{13,17}]nonadeca-1(19),3(7),5,8,10,12-hexaene-2,18-dione
CAS Registry NumberNot Available
SMILES
[H][C@@]1(C)OC2=C3C(C)=CC(O)=C4C5=C(NC(C)=C5)C(=O)C(C(=O)[C@]2(O)C1(C)C)=C34
InChI Identifier
InChI=1S/C22H21NO5/c1-8-6-12(24)14-11-7-9(2)23-17(11)18(25)16-15(14)13(8)20-22(27,19(16)26)21(4,5)10(3)28-20/h6-7,10,23-24,27H,1-5H3/t10-,22+/m0/s1
InChI KeyIXKZXMJHICVGBA-MLMJSJRWSA-N