CHEBI:9775 - tubulosine

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ChEBI Name tubulosine
ChEBI ID CHEBI:9775
Definition A member of the class of β-carbolines that is tubulosan bearing methoxy groups at positions 10 and 11 and a hydroxy group at the 8' position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H37N3O3
Net Charge 0
Average Mass 475.62250
Monoisotopic Mass 475.28349
InChI InChI=1S/C29H37N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-6,13-15,17,19,25-26,30-31,33H,4,7-12,16H2,1-3H3/t17-,19-,25+,26-/m0/s1
InChIKey JRVWIILYWSBUMC-PRUVNFMMSA-N
SMILES [H][C@]1(C[C@@]2([H])NCCc3c2[nH]c2ccc(O)cc32)C[C@]2([H])N(CCc3cc(OC)c(OC)cc23)C[C@@H]1CC
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing tubulosine (CHEBI:9775) has parent hydride tubulosan (CHEBI:36379)
tubulosine (CHEBI:9775) is a β-carbolines (CHEBI:60834)
tubulosine (CHEBI:9775) is a isoquinoline alkaloid (CHEBI:24921)
tubulosine (CHEBI:9775) is a isoquinolines (CHEBI:24922)
tubulosine (CHEBI:9775) is a phenols (CHEBI:33853)
tubulosine (CHEBI:9775) is a secondary amino compound (CHEBI:50995)
tubulosine (CHEBI:9775) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
10,11-dimethoxytubulosan-8'-ol
Synonym Source
Tubulosine KEGG COMPOUND
Manual Xrefs Databases
C00001778 KNApSAcK
C09248 KEGG COMPOUND
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Registry Numbers Types Sources
2632-29-3 CAS Registry Number KEGG COMPOUND
2632-29-3 CAS Registry Number ChemIDplus
772464 Beilstein Registry Number Beilstein
772464 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15195303 PubMed citation Europe PMC
1895202 PubMed citation Europe PMC
1982768 PubMed citation Europe PMC
776609 PubMed citation Europe PMC
9834903 PubMed citation Europe PMC
Last Modified
02 February 2015