CHEBI:67713 - 7alpha-Hydroxyparavallarine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7alpha-Hydroxyparavallarine
ChEBI ID CHEBI:67713
Definition A natural product found in Kibatalia laurifolia.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H33NO3
Net Charge 0
Average Mass 359.50230
Monoisotopic Mass 359.24604
InChI InChI=1S/C22H33NO3/c1-12-15-4-5-17-19-16(7-9-22(15,17)20(25)26-12)21(2)8-6-14(23-3)10-13(21)11-18(19)24/h11-12,14-19,23-24H,4-10H2,1-3H3/t12-,14-,15+,16-,17-,18+,19+,21-,22-/m0/s1
InChIKey PSCHPNOCVHDNMF-RZOBYWFHSA-N
SMILES [H][C@]12CC[C@@]3([H])[C@]4([H])[C@H](O)C=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 7alpha-Hydroxyparavallarine (CHEBI:67713) has role metabolite (CHEBI:25212)
7alpha-Hydroxyparavallarine (CHEBI:67713) is a steroid lactone (CHEBI:26766)
Synonym Source
(3beta,7alpha,20S)-7-Hydroxy-3-(methylamino)-18,20-epoxypregn-5-en-18-one ChEBI
Citation Waiting for Citations Type Source
21443172 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:7-hydroxy steroid(CHEBI:36844); ISA:primary aliphatic amine(CHEBI:17062); ISA:gamma-lactone(CHEBI:37581); ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:secondary amino compound(CHEBI:50995); ISA:carbonyl compound(CHEBI:36586);