CHEBI:70515 - 20(S)-tubotaiwine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 20(S)-tubotaiwine
ChEBI ID CHEBI:70515
Definition A natural product found in Alstonia spatulata.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H24N2O2
Net Charge 0
Average Mass 324.41680
Monoisotopic Mass 324.18378
InChI InChI=1S/C20H24N2O2/c1-3-12-13-8-10-22-11-9-20(18(12)22)14-6-4-5-7-15(14)21-17(20)16(13)19(23)24-2/h4-7,12-13,18,21H,3,8-11H2,1-2H3/t12-,13-,18+,20+/m0/s1
InChIKey RLAKWLFUMAABBE-STJTYLQHSA-N
SMILES [H][C@@]12CCN3CC[C@@]4(C(Nc5ccccc45)=C1C(=O)OC)[C@@]3([H])[C@H]2CC
Metabolite of Species Details
Alstonia sp.tulata (IPNI:76595-1) Found in stem (BTO:0001300). Previous component: stem bark; Extraction of stembark with concentrated EtOH with dilute acids 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.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 20(S)-tubotaiwine (CHEBI:70515) has role metabolite (CHEBI:25212)
20(S)-tubotaiwine (CHEBI:70515) is a alkaloid (CHEBI:22315)
Synonyms Sources
Condyfolan-16-carboxylic acid, 2,16-didehydro-, methylester ChEBI
Dihydrocondylocarpine ChEBI
Registry Number Type Source
6711-69-9 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21043460 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:alkaloid(CHEBI:22315); ISA:carbazoles(CHEBI:48513); ISA:indoles(CHEBI:24828); ISA:indolizines(CHEBI:38485); ISA:aralkylamine(CHEBI:18000); ISA:N-alkylpyrrolidine(CHEBI:46775); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:piperidines(CHEBI:26151); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enamine(CHEBI:47989); ISA:enoate ester(CHEBI:51702); ISA:carboxylic ester(CHEBI:33308); ISA:tertiary amine(CHEBI:32876); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586);