prespatane (CHEBI:192977)

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ChEBI Name	prespatane

ChEBI ID	CHEBI:192977

Definition	A carbotricyclic compound that is decahydrocyclobuta[1,2-a:3,4-a']dicyclopentene substituted by prop-1-en-2-yl, methyl and methyl groups at positions 1, 3a and 6, respectively (the 1S,3aS,3bR,6S,6aS,6bS-stereoisomer). It is a sesquiterpene initially isolated from the tropical marine sponge Cymbastela hooperi.

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

Submitter	Tereza Calounova

Supplier Information

Download	Molfile XML SDF

Formula

C15H24

Net Charge

Average Mass

204.357

Monoisotopic Mass

204.18780

InChI

InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(12)14(11)15/h10-14H,1,5-8H2,2-4H3/t10-,11+,12+,13-,14+,15-/m0/s1

InChIKey

KZVOHANKAKKFOK-MTWVNVMRSA-N

SMILES

[H][C@@]12CC[C@H](C)[C@]1([H])[C@@]1([H])[C@H](CC[C@@]21C)C(C)=C

Metabolite of Species	Details
Ptychanthus striatus (NCBI:txid203655)	Found in cell culture (BTO:0000214). See: PubMed
Magnolia officinalis (NCBI:txid85864)	Found in bark (BTO:0001301). See: PubMed
Cymbastela hooperi (WORMS:165531)	See: DOI

Roles Classification
Biological Role(s):	marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals. 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	prespatane (CHEBI:192977) has role animal metabolite (CHEBI:75767) prespatane (CHEBI:192977) has role marine metabolite (CHEBI:76507) prespatane (CHEBI:192977) has role plant metabolite (CHEBI:76924) prespatane (CHEBI:192977) is a carbotricyclic compound (CHEBI:38032) prespatane (CHEBI:192977) is a sesquiterpene (CHEBI:35189)

IUPAC Name

(1S,3aS,3bR,6S,6aS,6bS)-3a,6-dimethyl-1-(prop-1-en-2-yl)decahydrocyclobuta[1,2-a:3,4-a']dicyclopentene

Last Modified

22 August 2022