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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 |
|---|---|---|---|
| Tabernaemontana corymbosa (ncbitaxon:1679252) | leaf (BTO:0000713) | PubMed (29758521) | |
| Tabernaemontana elegans (ncbitaxon:761068) | |||
| root (BTO:0001188) | PubMed (28189906) | ||
| leaf (BTO:0000713) | PubMed (19525111) | ||
| Tabernaemontana divaricata (ncbitaxon:52861) | - | PubMed (17253850) | |
| 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) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. 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. |
| 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 |
|---|---|
| (−)-tabernemontanine | KNApSAcK |
| (−)-tabernaemontanine | KNApSAcK |
| tabernaemontanin | KNApSAcK |
| tabernemontanine | ChEBI |
| 20-epidregamine | KNApSAcK |
| Manual Xrefs | Databases |
|---|---|
| C00026055 | KNApSAcK |
| Registry Numbers | Sources |
|---|---|
| Reaxys:32846872 | Reaxys |
| CAS:2134-98-7 | KNApSAcK |
| Citations |
|---|