Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 05:55:47 UTC
Update Date2022-08-31 06:38:38 UTC
Metabolite IDMMDBc0015020
Metabolite Identification
Common NameNotoamide C
DescriptionNSC784314 belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position. Based on a literature review very few articles have been published on NSC784314.
Structure
SynonymsNot Available
Molecular FormulaC26H31N3O4
Average Mass449.551
Monoisotopic Mass449.23145649
IUPAC Name(3S,8aS)-1-hydroxy-3-{[(3R)-2-hydroxy-7,7-dimethyl-3-(2-methylbut-3-en-2-yl)-3H,7H-chromeno[5,6-b]pyrrol-3-yl]methyl}-3H,4H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-4-one
Traditional Name(3S,8aS)-1-hydroxy-3-{[(3R)-2-hydroxy-7,7-dimethyl-3-(2-methylbut-3-en-2-yl)chromeno[5,6-b]pyrrol-3-yl]methyl}-3H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-4-one
CAS Registry NumberNot Available
SMILES
[H][C@@]12CCCN1C(=O)[C@]([H])(C[C@@]1(C(O)=NC3=C1C=CC1=C3C=CC(C)(C)O1)C(C)(C)C=C)N=C2O
InChI Identifier
InChI=1S/C26H31N3O4/c1-6-24(2,3)26(14-17-22(31)29-13-7-8-18(29)21(30)27-17)16-9-10-19-15(20(16)28-23(26)32)11-12-25(4,5)33-19/h6,9-12,17-18H,1,7-8,13-14H2,2-5H3,(H,27,30)(H,28,32)/t17-,18-,26+/m0/s1
InChI KeyKNFZHRYXLWKRSU-QSAFDGGLSA-N