CHEBI:67712 - Paravallarine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Paravallarine
ChEBI ID CHEBI:67712
Definition A natural product found in Kibatalia laurifolia.
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:7928
Supplier Information
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Formulae C22H33NO2
C22H33NO2
Net Charge 0
Average Mass 343.50290
Monoisotopic Mass 343.25113
InChI InChI=1S/C22H33NO2/c1-13-17-6-7-19-16-5-4-14-12-15(23-3)8-10-21(14,2)18(16)9-11-22(17,19)20(24)25-13/h4,13,15-19,23H,5-12H2,1-3H3/t13-,15-,16+,17+,18-,19-,21-,22-/m0/s1
InChIKey RSFPISDAJMWREU-CDFICMNGSA-N
SMILES [H][C@]12CC[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@H]2C)NC
Metabolite of Species Details
Kibatalia laurifolia (IPNI:79456-1) Found in leaf (BTO:0000713). Dried, ground leaves were alkalized with NH4OH & extracted successively with n-hexane, CH2Cl2 & MeOH See: PubMed
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Paravallarine (CHEBI:67712) has role metabolite (CHEBI:25212)
Paravallarine (CHEBI:67712) is a steroid (CHEBI:35341)
Synonyms Sources
(3beta,20S)-3-(Methylamino)-18,20-epoxypregn-5-en-18-one ChEBI
Paravallarine KEGG COMPOUND
Manual Xrefs Databases
C00002255 KNApSAcK
C10814 KEGG COMPOUND
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Registry Number Type Source
510-31-6 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
21443172 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:terpene lactone(CHEBI:37668); ISA:sesquiterpenoid(CHEBI:26658); ISA:primary aliphatic amine(CHEBI:17062); ISA:gamma-lactone(CHEBI:37581); ISA:oxolanes(CHEBI:26912); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:secondary amino compound(CHEBI:50995); ISA:carbonyl compound(CHEBI:36586);