4,5,9,10-dehydroisolongifolene (CHEBI:89675)

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ChEBI Name	4,5,9,10-dehydroisolongifolene

ChEBI ID	CHEBI:89675

Definition	A carbotricyclic compound that is 1,5-dihydro-2H-2,4a-methanonaphthalene carrying four methyl groups at positions 1,1,5, and 5.

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

Supplier Information

Download	Molfile XML SDF

Formula

C15H20

Net Charge

Average Mass

200.325

Monoisotopic Mass

200.15650

InChI

InChI=1S/C15H20/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h5-9,11H,10H2,1-4H3

InChIKey

MOLSSUUBCUMURN-UHFFFAOYSA-N

SMILES

CC1(C)C2CC3(C=C2)C1=CC=CC3(C)C

Metabolite of Species	Details
Helichrysum microphyllum (NCBI:txid261789)	See: PubMed
Helianthus annuus (NCBI:txid4232)	See: PubMed
Aspergillus fumigatus (NCBI:txid746128)	See: PubMed
Homo sapiens (NCBI:txid9606)	Found in blood (UBERON:0000178). Present in the headspace gas of Plasmodium-infected red blood cells. See: PubMed

Roles Classification
Biological Role(s):	insect attractant A chemical that attracts insects. volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	4,5,9,10-dehydroisolongifolene (CHEBI:89675) has role Aspergillus metabolite (CHEBI:76956) 4,5,9,10-dehydroisolongifolene (CHEBI:89675) has role human metabolite (CHEBI:77746) 4,5,9,10-dehydroisolongifolene (CHEBI:89675) has role insect attractant (CHEBI:24850) 4,5,9,10-dehydroisolongifolene (CHEBI:89675) has role plant metabolite (CHEBI:76924) 4,5,9,10-dehydroisolongifolene (CHEBI:89675) has role volatile oil component (CHEBI:27311) 4,5,9,10-dehydroisolongifolene (CHEBI:89675) is a carbotricyclic compound (CHEBI:38032) 4,5,9,10-dehydroisolongifolene (CHEBI:89675) is a polycyclic olefin (CHEBI:35714) 4,5,9,10-dehydroisolongifolene (CHEBI:89675) is a sesquiterpene (CHEBI:35189) 4,5,9,10-dehydroisolongifolene (CHEBI:89675) is a volatile organic compound (CHEBI:134179)

IUPAC Name

1,1,5,5-tetramethyl-1,5-dihydro-2H-2,4a-methanonaphthalene

Synonyms	Sources
2,2,7,7-tetramethyltricyclo[6.2.1.0^1,6]undeca-3,5,9-triene	IUPAC
4,5,9,10-dehydro-isolongifolene	ChEBI

Registry Number	Type	Source
156747-45-4	CAS Registry Number	NIST Chemistry WebBook

Last Modified

05 March 2021