CHEBI:8886 - rodiasine

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ChEBI Name rodiasine
ChEBI ID CHEBI:8886
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C38H42N2O6
Net Charge 0
Average Mass 622.74996
Monoisotopic Mass 622.304
InChI InChI=1S/C38H42N2O6/c1-39-13-11-24-19-33(43-4)34-21-26(24)29(39)17-22-7-9-31(41)27(15-22)28-16-23(8-10-32(28)42-3)18-30-36-25(12-14-40(30)2)20-35(44-5)37(45-6)38(36)46-34/h7-10,15-16,19-21,29-30,41H,11-14,17-18H2,1-6H3/t29-,30+/m1/s1
InChIKey HIQZXOFBXJICTD-IHLOFXLRSA-N
SMILES [H][C@@]12Cc3ccc(O)c(c3)-c3cc(C[C@]4([H])N(C)CCc5cc(OC)c(OC)c(Oc6cc1c(CCN2C)cc6OC)c45)ccc3OC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing rodiasine (CHEBI:8886) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
rodiasine (CHEBI:8886) is a isoquinoline alkaloid fundamental parent (CHEBI:38515)
IUPAC Name
rodiasine
Synonym Source
Rodiasine KEGG COMPOUND
Database Links Databases
C00001912 KNApSAcK
C09624 KEGG COMPOUND
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Registry Numbers Types Sources
1070583 Beilstein Registry Number Beilstein
6391-64-6 CAS Registry Number KEGG COMPOUND
Last Modified
12 August 2016