Drug Information

Drug General Information
Drug ID
D05YJR
Former ID
DNC009265
Drug Name
GARCINONE D
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531095]
Formula
C24H28O7
Canonical SMILES
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)O)OC)CCC(C)<br />(C)O)O)C
InChI
1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3
InChIKey
TYALNCRUIKOKGP-UHFFFAOYSA-N
PubChem Compound ID
5495926
Target and Pathway
Target(s) Neuraminidase Target Info Inhibitor [531095]
Cytochrome P450 19 Target Info Inhibitor [529538]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis I
KEGG Pathway Other glycan degradationhsa00140:Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesis
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Androgen and Estrogen Metabolism
Reactome Endogenous sterols
WikiPathways Metapathway biotransformation
Tryptophan metabolism
Oxidation by Cytochrome P450
Ovarian Infertility Genes
Metabolism of steroid hormones and vitamin D
FSH signaling pathway
Integrated Breast Cancer Pathway
Phase 1 - Functionalization of compounds
References
Ref 531095Bioorg Med Chem. 2010 Sep 1;18(17):6258-64. Epub 2010 Jul 19.Xanthones with neuraminidase inhibitory activity from the seedcases of Garcinia mangostana.
Ref 529538J Nat Prod. 2008 Jul;71(7):1161-6. Epub 2008 Jun 18.Xanthones from the botanical dietary supplement mangosteen (Garcinia mangostana) with aromatase inhibitory activity.
Ref 531095Bioorg Med Chem. 2010 Sep 1;18(17):6258-64. Epub 2010 Jul 19.Xanthones with neuraminidase inhibitory activity from the seedcases of Garcinia mangostana.