Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 00:26:38 UTC
Update Date2022-08-31 06:26:49 UTC
Metabolite IDMMDBc0007170
Metabolite Identification
Common Name(6S,7R,10E,14E)-16-(1H-indol-3-yl)-2,6,10,14-tetramethylhexadeca-2,10,14-triene-6,7-diol
DescriptionCHEMBL2408945 belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Based on a literature review very few articles have been published on CHEMBL2408945.
Structure
SynonymsNot Available
Molecular FormulaC28H41NO2
Average Mass423.641
Monoisotopic Mass423.313729564
IUPAC Name(6S,7R,10E,14E)-16-(1H-indol-3-yl)-2,6,10,14-tetramethylhexadeca-2,10,14-triene-6,7-diol
Traditional Name(6S,7R,10E,14E)-16-(1H-indol-3-yl)-2,6,10,14-tetramethylhexadeca-2,10,14-triene-6,7-diol
CAS Registry NumberNot Available
SMILES
[H]\C(CC\C(C)=C(/[H])CC1=CNC2=CC=CC=C12)=C(\C)CC[C@@]([H])(O)[C@@](C)(O)CCC=C(C)C
InChI Identifier
InChI=1S/C28H41NO2/c1-21(2)10-9-19-28(5,31)27(30)18-16-23(4)12-8-11-22(3)15-17-24-20-29-26-14-7-6-13-25(24)26/h6-7,10,12-15,20,27,29-31H,8-9,11,16-19H2,1-5H3/b22-15+,23-12+/t27-,28+/m1/s1
InChI KeyQSCZFXVTYWFEJV-IQRZJAOQSA-N