CHEBI:198490 - Paliclavine

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ChEBI Name Paliclavine
ChEBI ID CHEBI:198490
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C16H20N2O
Net Charge 0
Average Mass 256.349
Monoisotopic Mass 256.15756
InChI InChI=1S/C16H20N2O/c1-9(2)16(19)15-11-5-4-6-12-14(11)10(8-18-12)7-13(15)17-3/h4-6,8,13,15-19H,1,7H2,2-3H3/t13-,15-,16+/m1/s1
InChIKey RYJKMWDFKMAASW-BMFZPTHFSA-N
SMILES O[C@@H](C(=C)C)[C@@H]1C2=C3C(NC=C3C[C@H]1NC)=CC=C2
Metabolite of Species Details
Claviceps paspali (NCBI:txid40601) See: PubMed
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 Paliclavine (CHEBI:198490) is a alkaloid (CHEBI:22315)
IUPAC Name
(1R)-2-methyl-1-[(4R,5R)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-en-1-ol
Manual Xref Database
149594 ChemSpider
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