CHEBI:68625 - valerena-4,7(11)-diene

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ChEBI Name valerena-4,7(11)-diene
ChEBI ID CHEBI:68625
Definition A bicyclic sesquiterpene that is 2,4,5,6,7,7a-hexahydro-1H-indene substituted at positions 3 and 7 by methyl groups and at position 4 by a 3,3-dimethylallyl group (the 4S,7R,7aR-stereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
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Formula C15H24
Net Charge 0
Average Mass 204.35110
Monoisotopic Mass 204.18780
InChI InChI=1S/C15H24/c1-10(2)9-13-7-5-11(3)14-8-6-12(4)15(13)14/h9,11,13-14H,5-8H2,1-4H3/t11-,13+,14-/m1/s1
InChIKey MZZFDMZYIBWOOA-KWCYVHTRSA-N
SMILES [H][C@]12CCC(C)=C1[C@@H](CC[C@H]2C)C=C(C)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing valerena-4,7(11)-diene (CHEBI:68625) has role metabolite (CHEBI:25212)
valerena-4,7(11)-diene (CHEBI:68625) is a carbobicyclic compound (CHEBI:36785)
valerena-4,7(11)-diene (CHEBI:68625) is a sesquiterpene (CHEBI:35189)
IUPAC Name
(4S,7R,7aR)-3,7-dimethyl-4-(2-methylprop-1-en-1-yl)-2,4,5,6,7,7a-hexahydro-1H-indene
Synonyms Sources
(4S,7R,7aR)-3,7-dimethyl-4-(3,3-dimethylallyl)-2,4,5,6,7,7a-hexahydro-1H-indene ChEBI
valerena-4,7(11)-diene UniProt
Registry Number Type Source
8839885 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22776156 PubMed citation SUBMITTER
Last Modified
08 October 2012