CHEBI:17699 - 16-hydroxytabersonine

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ChEBI Name 16-hydroxytabersonine
ChEBI ID CHEBI:17699
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:767, CHEBI:11330
Supplier Information
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Formula C21H24N2O3
Net Charge 0
Average Mass 352.42694
Monoisotopic Mass 352.179
InChI InChI=1S/C21H24N2O3/c1-3-20-7-4-9-23-10-8-21(19(20)23)15-6-5-13(24)11-16(15)22-17(21)14(12-20)18(25)26-2/h4-7,11,19,22,24H,3,8-10,12H2,1-2H3/t19-,20-,21-/m0/s1
InChIKey FXUFRJQCBVSCRZ-ACRUOGEOSA-N
SMILES [H][C@@]12N3CC[C@]11C(Nc4cc(O)ccc14)=C(C[C@]2(CC)C=CC3)C(=O)OC
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 16-hydroxytabersonine (CHEBI:17699) has functional parent tabersonine (CHEBI:16776)
16-hydroxytabersonine (CHEBI:17699) is a methyl ester (CHEBI:25248)
16-hydroxytabersonine (CHEBI:17699) is a monoterpenoid indole alkaloid (CHEBI:65323)
16-hydroxytabersonine (CHEBI:17699) is a organic heteropentacyclic compound (CHEBI:38164)
16-hydroxytabersonine (CHEBI:17699) is conjugate base of 16-hydroxytabersoninium (CHEBI:58239)
Incoming (3R)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersonine (CHEBI:137485) has functional parent 16-hydroxytabersonine (CHEBI:17699)
16-hydroxytabersoninium (CHEBI:58239) is conjugate acid of 16-hydroxytabersonine (CHEBI:17699)
IUPAC Name
methyl 16-hydroxy-2,3,6,7-tetradehydro-5α,12β,19α-aspidospermidine-3-carboxylate
Synonym Source
16-Hydroxytabersonine KEGG COMPOUND
Database Links Databases
C00024480 KNApSAcK
C11643 KEGG COMPOUND
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Last Modified
21 June 2017