neoverrucosan-5beta-ol (CHEBI:194191)

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ChEBI Name	neoverrucosan-5β-ol

ChEBI ID	CHEBI:194191

ChEBI ASCII Name	neoverrucosan-5beta-ol

Definition	A diterpenoid isolated from the liverwort Mylia verrucosa.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C20H34O

Net Charge

Average Mass

290.491

Monoisotopic Mass

290.26097

InChI

InChI=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

InChIKey

JXDKJHNZVVRXON-ROJCJYFNSA-N

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@@]21[H]

Metabolite of Species	Details
Axinyssa aplysionides (NCBI:txid237151)	See: PubMed
Mylia verrucosa (NCBI:txid537837)	See: DOI
Scapania bolanderi (NCBI:txid537845)	Found in whole plant (BTO:0001461). See: DOI

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. animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.

ChEBI Ontology
Outgoing	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

Registry Number	Type	Source
76235-09-1	CAS Registry Number	ChEBI

Last Modified

10 January 2023