CHEBI:1177 - 2-Isoprenylemodin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-Isoprenylemodin
ChEBI ID CHEBI:1177
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H18O5
Net Charge 0
Average Mass 338.355
Monoisotopic Mass 338.11542
InChI InChI=1S/C20H18O5/c1-9(2)4-5-11-14(21)8-13-17(19(11)24)20(25)16-12(18(13)23)6-10(3)7-15(16)22/h4,6-8,21-22,24H,5H2,1-3H3
InChIKey WQTDARJAYXTHNU-UHFFFAOYSA-N
SMILES CC(C)=CCc1c(O)cc2C(=O)c3cc(C)cc(O)c3C(=O)c2c1O
ChEBI Ontology
Outgoing 2-Isoprenylemodin (CHEBI:1177) is a trihydroxyanthraquinone (CHEBI:37488)
Synonym Source
2-Isoprenylemodin KEGG COMPOUND
Manual Xrefs Databases
C00002832 KNApSAcK
C10360 KEGG COMPOUND
View more database links
Registry Number Type Source
82345-58-2 CAS Registry Number KEGG COMPOUND
Last Modified
14 June 2016