herquline C (CHEBI:229729)

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ChEBI Name	herquline C

ChEBI ID	CHEBI:229729

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C19H26N2O2

Net Charge

Average Mass

314.429

Monoisotopic Mass

314.19943

InChI

InChI=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

InChIKey

IKEHAWAEPHQJSM-MWDXBVQZSA-N

SMILES

[H][C@]12CN(C)[C@]([H])(CN1)CC1=C[C@@]([H])(C(=O)CC1)[C@@]1([H])C=C(CCC1=O)C2

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):	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. (via alkaloid )

ChEBI Ontology
Outgoing	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	herquline C(1+) (CHEBI:229730) is conjugate acid of herquline C (CHEBI:229729)

IUPAC Name

(1S,7R,8R,14S)-15-methyl-15,17-diazatetracyclo[12.2.2.1^3,7.1^8,12]icosa-3(20),12(19)-diene-6,9-dione

Synonym	Source
(+)-herquline C	ChEBI

Last Modified

07 March 2024