loading...| Preferred Name |
(-)-chimonanthine |
| Synonyms |
chimonanthine (3aS,3a'S,8aS,8a'S)-1,1'-dimethyl-2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole (-)-Chimonanthine 1-demethylcalycanthidine Chimonanthin |
| Definitions |
The (3aS,3a'S,8aS,8a'S)-stereoisomer of chimonanthine. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_87 |
| charge |
0 |
| database_cross_reference |
KNApSAcK:C00001708 Beilstein:1229277 KEGG:C09133 CAS:5545-89-1 |
| definition |
The (3aS,3a'S,8aS,8a'S)-stereoisomer of chimonanthine. |
| formula |
C22H26N4 |
| has_exact_synonym |
(3aS,3a'S,8aS,8a'S)-1,1'-dimethyl-2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole (-)-Chimonanthine |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
chimonanthine 1-demethylcalycanthidine Chimonanthin |
| id |
CHEBI:87 |
| in_subset | |
| inchi |
InChI=1S/C22H26N4/c1-25-13-11-21(15-7-3-5-9-17(15)23-19(21)25)22-12-14-26(2)20(22)24-18-10-6-4-8-16(18)22/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21+,22+/m0/s1 |
| inchikey |
HOYXPMHLHJOGHD-FNAHDJPLSA-N |
| is enantiomer of | |
| label |
(-)-chimonanthine |
| mass |
346.46880 |
| monoisotopicmass |
346.21575 |
| notation |
CHEBI:87 |
| prefLabel |
(-)-chimonanthine |
| smiles |
[H][C@@]12Nc3ccccc3[C@@]1(CCN2C)[C@@]12CCN(C)[C@]1([H])Nc1ccccc21 |
| treeView | |
| subClassOf |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.bioontology.org/ontology/MESH/C521484 | Medical Subject Headings / 医学主题词表 | LOOM |