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CHEBI:194191 - neoverrucosan-5β-ol

ChEBI IDCHEBI:194191
ChEBI Nameneoverrucosan-5β-ol
Stars
ASCII Nameneoverrucosan-5beta-ol
DefinitionA diterpenoid isolated from the liverwort Mylia verrucosa.
Last Modified10 January 2023
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H34O
Net Charge0
Average Mass290.491
Monoisotopic Mass290.26097
SMILES[H][C@@]12C[C@]1(C)[C@H](O)C[C@]1(C)CC[C@@]3(C)CC[C@@H](C(C)C)[C@]3([H])[C@]12[H]
InChIInChI=1S/C20H34O/c1-12(2)13-6-7-18(3)8-9-19(4)11-15(21)20(5)10-14(20)17(19)16(13)18/h12-17,21H,6-11H2,1-5H3/t13-,14-,15+,16+,17+,18+,19-,20-/m0/s1
InChIKeyJXDKJHNZVVRXON-ROJCJYFNSA-N
Species of MetaboliteComponentSourceComments
Scapania bolanderi (ncbitaxon:537845) whole plant (BTO:0001461) DOI (10.1515/znb-1984-0923)
Mylia verrucosa (ncbitaxon:537837) - DOI (10.1039/C39800000822)
Axinyssa aplysionides (ncbitaxon:237151) - PubMed (7760073)
Roles Classification
Biological Roles:
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 Relation(s)
neoverrucosan-5β-ol (CHEBI:194191) has role animal metabolite (CHEBI:75767)
neoverrucosan-5β-ol (CHEBI:194191) has role plant metabolite (CHEBI:76924)
neoverrucosan-5β-ol (CHEBI:194191) is a carbotetracyclic compound (CHEBI:177332)
neoverrucosan-5β-ol (CHEBI:194191) is a diterpenoid (CHEBI:23849)
neoverrucosan-5β-ol (CHEBI:194191) is a organic hydroxy compound (CHEBI:33822)
IUPAC Name 
(1aS,2R,3aS,5aR,8S,8aR,8bR,8cS)-1a,3a,5a-trimethyl-8-(propan-2-yl)tetradecahydrocyclopenta[a]cyclopropa[h]naphthalen-2-ol
Synonyms  Source
(−)-neoverrucosan-5β-olChEBI
(−)-5β-hydroxyneoverrucosaneChEBI
UniProt Name  Source
neoverrucosan-5β-olUniProt
Manual XrefsDatabases
CPD-26032MetaCyc
Registry NumbersSources
CAS:76235-09-1ChEBI
Citations