CHEBI:72638 - 1-deoxycapsidiol

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ChEBI Name 1-deoxycapsidiol
ChEBI ID CHEBI:72638
Definition An eremophilane sesquiterpenoid that is (+)-5-epi-aristolochene carrying an additional 3α-hydroxy substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H24O
Net Charge 0
Average Mass 220.35050
Monoisotopic Mass 220.18272
InChI InChI=1S/C15H24O/c1-10(2)12-5-6-13-7-8-14(16)11(3)15(13,4)9-12/h6,11-12,14,16H,1,5,7-9H2,2-4H3/t11-,12-,14-,15-/m1/s1
InChIKey TWGYXCCDWSORFO-QHSBEEBCSA-N
SMILES C[C@@H]1[C@H](O)CCC2=CC[C@H](C[C@]12C)C(C)=C
Metabolite of Species Details
Centella asiatica (NCBI:txid48106) See: MetaboLights Study
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 1-deoxycapsidiol (CHEBI:72638) has functional parent (+)-5-epi-aristolochene (CHEBI:23925)
1-deoxycapsidiol (CHEBI:72638) has role plant metabolite (CHEBI:76924)
1-deoxycapsidiol (CHEBI:72638) is a eremophilane sesquiterpenoid (CHEBI:36753)
IUPAC Name
(1S,2R,7R,8aR)-1,8a-dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-ol
Synonyms Sources
(+)-1-deoxycapsidiol ChEBI
3α,4βH-eremophila-9,11-diene-3-ol ChEBI
3α-hydroxy-5-epiaristolochene MetaCyc
epiaristolochen-3α-ol ChEBI
Manual Xref Database
CPD-4662 MetaCyc
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Registry Number Type Source
3543289 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
11556809 PubMed citation Europe PMC
Last Modified
04 March 2015