Drug General Information
Drug ID
D09ALJ
Former ID
DNC002677
Drug Name
Rutin
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551393]
Structure
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2D MOL

3D MOL

Formula
C27H30O16
Canonical SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O<br />)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
InChI
1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
InChIKey
IKGXIBQEEMLURG-NVPNHPEKSA-N
CAS Number
CAS 153-18-4
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Aldo-keto reductase family 1 member C3 Target Info Inhibitor [551393]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Allopregnanolone biosynthesis
Androgen biosynthesis
KEGG Pathway Steroid hormone biosynthesis
Arachidonic acid metabolism
Metabolic pathways
Ovarian steroidogenesis
NetPath Pathway TGF_beta_Receptor Signaling Pathway
PathWhiz Pathway Arachidonic Acid Metabolism
Reactome Retinoid metabolism and transport
WikiPathways Metapathway biotransformation
Benzo(a)pyrene metabolism
Arachidonic acid metabolism
References
Ref 551393How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
Ref 551393How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.

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