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CHEBI:142075 - tabernaemontanine
| Formula | C21H26N2O3 |
| Net Charge | 0 |
| Average Mass | 354.450 |
| Monoisotopic Mass | 354.19434 |
| SMILES | [H][C@]1(C(=O)OC)[C@@]2([H])CC(=O)c3nc4ccccc4c3C[C@]1([H])N(C)C[C@H]2CC |
| InChI | InChI=1S/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17,19,22H,4,9-11H2,1-3H3/t12-,14+,17+,19+/m1/s1 |
| InChIKey | FFVRRQMGGGTQRH-DTPILHQWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ervatamia yunnanensis (IPNI:78987-1) | aerial part (BTO:0001658) | Article (Yang, Y., Jinming, G., and Jikai, L. ' The constituents of Ervatamia yunnanensis' (1999). Acta Botanica Yunnanica. vol 21(3), p 399-405. ) | |
| Tabernaemontana coronaria (IPNI:82068-1) | bark (BTO:0001301) | PubMed (28423921) | |
| Tabernaemontana corymbosa (ncbitaxon:1679252) | leaf (BTO:0000713) | PubMed (29758521) | |
| Tabernaemontana divaricata (ncbitaxon:52861) | - | PubMed (17253850) | |
| Tabernaemontana elegans (ncbitaxon:761068) | |||
| root (BTO:0001188) | PubMed (28189906) | ||
| leaf (BTO:0000713) | PubMed (19525111) |
| 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. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| tabernaemontanine (CHEBI:142075) has role antineoplastic agent (CHEBI:35610) |
| tabernaemontanine (CHEBI:142075) has role apoptosis inducer (CHEBI:68495) |
| tabernaemontanine (CHEBI:142075) has role plant metabolite (CHEBI:76924) |
| tabernaemontanine (CHEBI:142075) is a alkaloid ester (CHEBI:38481) |
| tabernaemontanine (CHEBI:142075) is a methyl ester (CHEBI:25248) |
| tabernaemontanine (CHEBI:142075) is a monoterpenoid indole alkaloid (CHEBI:65323) |
| tabernaemontanine (CHEBI:142075) is a organic heterotetracyclic compound (CHEBI:38163) |
| tabernaemontanine (CHEBI:142075) is a tertiary amino compound (CHEBI:50996) |
| IUPAC Name |
|---|
| methyl (20β)-3-oxo-19,20-dihydrovobasan-17-oate |
| Synonyms | Source |
|---|---|
| 20-epidregamine | KNApSAcK |
| tabernaemontanin | KNApSAcK |
| (−)-tabernaemontanine | KNApSAcK |
| (−)-tabernemontanine | KNApSAcK |
| tabernemontanine | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C00026055 | KNApSAcK |
| Registry Numbers | Sources |
|---|---|
| Reaxys:32846872 | Reaxys |
| CAS:2134-98-7 | KNApSAcK |
| Citations |
|---|