CHEBI:52226 - epi-cedrol

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ChEBI Name epi-cedrol
ChEBI ID CHEBI:52226
ChEBI ASCII Name epi-cedrol
Definition The 8S-epimer of cedrol.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C15H26O
Net Charge 0
Average Mass 222.36630
Monoisotopic Mass 222.19837
InChI InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14+,15+/m1/s1
InChIKey SVURIXNDRWRAFU-MIBAYGRRSA-N
SMILES [H][C@@]12CC[C@@H](C)[C@@]11CC[C@](C)(O)[C@H](C1)C2(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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing epi-cedrol (CHEBI:52226) has role plant metabolite (CHEBI:76924)
epi-cedrol (CHEBI:52226) is a cedrane sesquiterpenoid (CHEBI:36745)
epi-cedrol (CHEBI:52226) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
cedran-8-ol
Synonyms Sources
(−)-epicedrol ChEBI
(3R,3aS,6S,7R,8aS)-3,6,8,8-tetramethyloctahydro-1H-3a,7-methanoazulen-6-ol IUPAC
8-epi-cedrol NIST Chemistry WebBook
8-epicedrol SUBMITTER
8-epicedrol ChEBI
epi-cedrol UniProt
Registry Numbers Types Sources
19903-73-2 CAS Registry Number NIST Chemistry WebBook
3195903 Reaxys Registry Number Reaxys
3195903 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
24359620 PubMed citation Europe PMC
Last Modified
04 March 2015
Submitter Remark
2009-03-24 13:51:26.0 Kristian Axelsen Needed for new IUBMB EC 4.2.3.39. the compoun is described in pmid:10486140