CHEBI:18430 - 3-hydroxy-16-methoxy-2,3-dihydrotabersonine

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ChEBI Name 3-hydroxy-16-methoxy-2,3-dihydrotabersonine
ChEBI ID CHEBI:18430
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11331, CHEBI:768, CHEBI:19160
Supplier Information
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Formula C22H28N2O4
Net Charge 0
Average Mass 384.46880
Monoisotopic Mass 384.20491
InChI InChI=1S/C22H28N2O4/c1-4-20-8-5-10-24-11-9-21(18(20)24)15-7-6-14(27-2)12-16(15)23-17(21)22(26,13-20)19(25)28-3/h5-8,12,17-18,23,26H,4,9-11,13H2,1-3H3/t17-,18+,20+,21+,22-/m1/s1
InChIKey MLIQIRKAHMVCDD-MMGCJVFTSA-N
SMILES [H][C@@]12Nc3cc(OC)ccc3[C@@]11CCN3CC=C[C@@](CC)(C[C@]2(O)C(=O)OC)[C@@]13[H]
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-hydroxy-16-methoxy-2,3-dihydrotabersonine (CHEBI:18430) has functional parent tabersonine (CHEBI:16776)
3-hydroxy-16-methoxy-2,3-dihydrotabersonine (CHEBI:18430) is a methyl ester (CHEBI:25248)
3-hydroxy-16-methoxy-2,3-dihydrotabersonine (CHEBI:18430) is a monoterpenoid indole alkaloid (CHEBI:65323)
3-hydroxy-16-methoxy-2,3-dihydrotabersonine (CHEBI:18430) is a organic heteropentacyclic compound (CHEBI:38164)
3-hydroxy-16-methoxy-2,3-dihydrotabersonine (CHEBI:18430) is a tertiary alcohol (CHEBI:26878)
3-hydroxy-16-methoxy-2,3-dihydrotabersonine (CHEBI:18430) is conjugate base of 3-hydroxy-16-methoxy-2,3-dihydrotabersoninium (CHEBI:58485)
Incoming 3-hydroxy-16-methoxy-2,3-dihydrotabersoninium (CHEBI:58485) is conjugate acid of 3-hydroxy-16-methoxy-2,3-dihydrotabersonine (CHEBI:18430)
IUPAC Name
methyl 3β-hydroxy-16-methoxy-6,7-didehydro-2β,5α,12β,19α-aspidospermidine-3α-carboxylate
Synonyms Sources
16-methoxy-2,3-dihydro-3-hydroxytabersonine ChEBI
16-Methoxy-2,3-dihydro-3-hydroxytabersonine KEGG COMPOUND
Manual Xref Database
C04578 KEGG COMPOUND
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Last Modified
03 March 2015