Drug General Information
Drug ID
D0F8IB
Former ID
DNC009918
Drug Name
MONODICTYOCHROMONE B
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529759]
Formula
C30H30O11
Canonical SMILES
CC1CC(=O)OC1C2(CC(=O)C3=C(O2)C=CC(=C3O)C4=C(C5=C(C=C4C)<br />OC(CC5=O)(C)C6C(CC(=O)O6)O)O)C
InChI
1S/C30H30O11/c1-12-7-19-24(17(33)11-30(4,41-19)28-15(31)9-21(35)39-28)26(37)22(12)14-5-6-18-23(25(14)36)16(32)10-29(3,40-18)27-13(2)8-20(34)38-27/h5-7,13,15,27-28,31,36-37H,8-11H2,1-4H3/t13-,15+,27+,28+,29+,30-/m0/s1
InChIKey
YSURVZRGQKOUAG-QXBVHLSASA-N
PubChem Compound ID
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [529759]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis I
KEGG Pathway 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 529759J Nat Prod. 2008 Dec 1;71(11):1793-1799. Epub 2008 Oct 21.Monodictyochromes A and B, Dimeric Xanthone Derivatives from the Marine Algicolous Fungus Monodictys putredinis.
Ref 529759J Nat Prod. 2008 Dec 1;71(11):1793-1799. Epub 2008 Oct 21.Monodictyochromes A and B, Dimeric Xanthone Derivatives from the Marine Algicolous Fungus Monodictys putredinis.