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CHEBI:3332 - (+)-calycanthidine
| Formula | C23H28N4 |
| Net Charge | 0 |
| Average Mass | 360.505 |
| Monoisotopic Mass | 360.23140 |
| SMILES | [H][C@@]12N(C)CC[C@]1([C@]13CCN(C)[C@@]1([H])Nc1ccccc13)c1ccccc1N2C |
| InChI | InChI=1S/C23H28N4/c1-25-14-12-22(16-8-4-6-10-18(16)24-20(22)25)23-13-15-26(2)21(23)27(3)19-11-7-5-9-17(19)23/h4-11,20-21,24H,12-15H2,1-3H3/t20-,21+,22+,23+/m1/s1 |
| InChIKey | GSQUXSFTXJRLQJ-LDVJMBRRSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (+)-calycanthidine (CHEBI:3332) has functional parent (+)-chimonanthine (CHEBI:38953) |
| (+)-calycanthidine (CHEBI:3332) is a calycanthidine (CHEBI:38970) |
| (+)-calycanthidine (CHEBI:3332) is enantiomer of (−)-calycanthidine (CHEBI:38969) |
| Incoming Relation(s) |
| (−)-calycanthidine (CHEBI:38969) is enantiomer of (+)-calycanthidine (CHEBI:3332) |
| IUPAC Name |
|---|
| (3aR,3a'R,8aS,8a'R)-1,1',8-trimethyl-2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole |
| Synonym | Source |
|---|---|
| Calycanthidine | KEGG COMPOUND |