ilicicolin H (CHEBI:77772)

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CHEBI:77772 - ilicicolin H

ChEBI ID	CHEBI:77772
ChEBI Name	ilicicolin H
Stars
Definition	An aromatic ketone in which the ketone carbonyl group is attached to a (1R,2R,4aS,7S,8aR)-4,7-dimethyl-1-[(1E)-prop-1-en-1-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl group and a 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1,2-dihydropyridin-3-yl group. Isolated from the from the "imperfect" fungus Cylindrocladium iliciola strain MFC-870.
Last Modified	18 June 2020
Submitter	Steve
Downloads	Molfile

Formula	C27H31NO4
Net Charge	0
Average Mass	433.548
Monoisotopic Mass	433.22531
SMILES	[H][C@]12CC[C@H](C)C[C@]1([H])[C@@H](/C=C/C)[C@H](C(=O)c1c(O)c(-c3ccc(O)cc3)cnc1=O)C=C2C
InChI	InChI=1S/C27H31NO4/c1-4-5-20-21-12-15(2)6-11-19(21)16(3)13-22(20)25(30)24-26(31)23(14-28-27(24)32)17-7-9-18(29)10-8-17/h4-5,7-10,13-15,19-22,29H,6,11-12H2,1-3H3,(H2,28,31,32)/b5-4+/t15-,19+,20+,21-,22+/m0/s1
InChIKey	BYVVOONSAAQMKI-RFKCMYLBSA-N

Roles Classification

Biological Roles:

antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.

mitochondrial respiratory-chain inhibitor

fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.

antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.

ChEBI Ontology

Outgoing Relation(s)
	ilicicolin H (CHEBI:77772) has role antimicrobial agent (CHEBI:33281)
	ilicicolin H (CHEBI:77772) has role mitochondrial respiratory-chain inhibitor (CHEBI:25355)
	ilicicolin H (CHEBI:77772) is a aromatic ketone (CHEBI:76224)
	ilicicolin H (CHEBI:77772) is a carbobicyclic compound (CHEBI:36785)
	ilicicolin H (CHEBI:77772) is a ilicicolin (CHEBI:146212)
	ilicicolin H (CHEBI:77772) is a monohydroxypyridine (CHEBI:38182)
	ilicicolin H (CHEBI:77772) is a octahydronaphthalenes (CHEBI:138397)
	ilicicolin H (CHEBI:77772) is a phenols (CHEBI:33853)
	ilicicolin H (CHEBI:77772) is a pyridone (CHEBI:38183)
Incoming Relation(s)
Incoming Relation(s)	3-[(2E,4E,8S,10E,12Z)-4,8-dimethyltetradeca-2,4,10,12-tetraenoyl]-4-hydroxy-5-(4-hydroxyphenyl)-1,2-dihydropyridin-2-one (CHEBI:155889) has functional parent ilicicolin H (CHEBI:77772)

IUPAC Name
3-({(1R,2S,4aS,7S,8aR)-4,7-dimethyl-1-[(1E)-prop-1-en-1-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl}carbonyl)-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1H)-one

UniProt Name	Source
ilicicolin H	UniProt

Manual Xrefs	Databases
CN101260418	Patent
C00028381	KNApSAcK

Registry Numbers	Sources
Reaxys:1631061	Reaxys

Citations