CHEBI:28283 - capsidiol

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ChEBI Name capsidiol
ChEBI ID CHEBI:28283
Definition An eremophilane sesquiterpenoid that is (+)-5-epi-aristolochene bearing additional 1β- and 3α-hydroxy substituents.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3377, CHEBI:23001
Supplier Information
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Formula C15H24O2
Net Charge 0
Average Mass 236.34986
Monoisotopic Mass 236.17763
InChI InChI=1S/C15H24O2/c1-9(2)11-5-6-12-14(17)7-13(16)10(3)15(12,4)8-11/h6,10-11,13-14,16-17H,1,5,7-8H2,2-4H3/t10-,11-,13-,14-,15-/m1/s1
InChIKey BXXSHQYDJWZXPB-OKNSCYNVSA-N
SMILES C[C@@H]1[C@H](O)C[C@@H](O)C2=CC[C@H](C[C@]12C)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.
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ChEBI Ontology
Outgoing capsidiol (CHEBI:28283) has functional parent (+)-5-epi-aristolochene (CHEBI:23925)
capsidiol (CHEBI:28283) has role metabolite (CHEBI:25212)
capsidiol (CHEBI:28283) is a eremophilane sesquiterpenoid (CHEBI:36753)
IUPAC Names
(1R,3R,4S,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol
1β,3α,4βH-eremophila-9,11-diene-1,3-diol
Synonyms Sources
(1R,3R,4S,4aR,6R)-6-isopropenyl-4,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol IUPAC
Capsidiol KEGG COMPOUND
capsidiol UniProt
Manual Xrefs Databases
C00003108 KNApSAcK
C09627 KEGG COMPOUND
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Registry Numbers Types Sources
2331764 Beilstein Registry Number Beilstein
37208-05-2 CAS Registry Number ChemIDplus
Last Modified
28 July 2014