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CHEBI:229729 - herquline C

ChEBI IDCHEBI:229729
ChEBI Nameherquline C
Stars
Last Modified7 March 2024
SubmitterAdnan
DownloadsMolfile
FormulaC19H26N2O2
Net Charge0
Average Mass314.429
Monoisotopic Mass314.19943
SMILES[H][C@@]12CC3=C[C@@]([H])(C(=O)CC3)[C@@]3([H])C=C(CCC3=O)C[C@@]([H])(CN1)N(C)C2
InChIInChI=1S/C19H26N2O2/c1-21-11-14-6-12-2-4-18(22)16(8-12)17-9-13(3-5-19(17)23)7-15(21)10-20-14/h8-9,14-17,20H,2-7,10-11H2,1H3/t14-,15-,16+,17+/m0/s1
InChIKeyIKEHAWAEPHQJSM-MWDXBVQZSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
herquline C (CHEBI:229729) has role Penicillium metabolite (CHEBI:76964)
herquline C (CHEBI:229729) is a alkaloid (CHEBI:22315)
herquline C (CHEBI:229729) is a cyclic ketone (CHEBI:3992)
herquline C (CHEBI:229729) is a organic heterotetracyclic compound (CHEBI:38163)
herquline C (CHEBI:229729) is a secondary amino compound (CHEBI:50995)
herquline C (CHEBI:229729) is a tertiary amino compound (CHEBI:50996)
herquline C (CHEBI:229729) is conjugate base of herquline C(1+) (CHEBI:229730)
Incoming Relation(s)
herquline C(1+) (CHEBI:229730) is conjugate acid of herquline C (CHEBI:229729)
IUPAC Name 
(1S,7R,8R,14S)-15-methyl-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),12(19)-diene-6,9-dione
Synonym  Source
(+)-herquline CChEBI
Citations