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CHEBI:134192 - taxine B
| Formula | C33H45NO8 |
| Net Charge | 0 |
| Average Mass | 583.722 |
| Monoisotopic Mass | 583.31452 |
| SMILES | [H][C@@]12C(=C)[C@@H](OC(=O)C[C@H](c3ccccc3)N(C)C)CC[C@@]1(C)[C@@H](O)[C@H](OC(C)=O)C1=C(C)C(=O)C[C@@](O)([C@H]2O)C1(C)C |
| InChI | InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(38)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(39)28(41-20(3)35)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3/t22-,24+,27+,28-,29+,30+,32-,33-/m1/s1 |
| InChIKey | XMZFIBDTPOUHMW-IMJFYWAGSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Taxus chinensis (ncbitaxon:29808) | seed (BTO:0001226) | PubMed (9917305) | |
| Taxus mairei (ncbitaxon:120273) | seed (BTO:0001226) | PubMed (10993234) | |
| Apis cerana (ncbitaxon:7461) | - | MetaboLights (MTBLS379) | |
| Taxus baccata (ncbitaxon:25629) | |||
| leaf (BTO:0000713) | PubMed (23265441) | ||
| fruit (BTO:0000486) | PubMed (24362105) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | cardiotoxic agent A role played by a chemical compound exhibiting itself through the ability to induce damage to the heart and cardiomyocytes. 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) |
| taxine B (CHEBI:134192) has role cardiotoxic agent (CHEBI:50912) |
| taxine B (CHEBI:134192) is a acetate ester (CHEBI:47622) |
| taxine B (CHEBI:134192) is a carbotricyclic compound (CHEBI:38032) |
| taxine B (CHEBI:134192) is a diterpene alkaloid (CHEBI:23847) |
| taxine B (CHEBI:134192) is a enone (CHEBI:51689) |
| taxine B (CHEBI:134192) is a homoallylic alcohol (CHEBI:134362) |
| taxine B (CHEBI:134192) is a secondary alcohol (CHEBI:35681) |
| taxine B (CHEBI:134192) is a tertiary alcohol (CHEBI:26878) |
| taxine B (CHEBI:134192) is a tertiary amino compound (CHEBI:50996) |
| IUPAC Name |
|---|
| (2α,5α,9α,10β)-10-(acetyloxy)-1,2,9-trihydroxy-13-oxotaxa-4(20),11-dien-5-yl (3R)-3-(dimethylamino)-3-phenylpropanoate |
| Synonym | Source |
|---|---|
| Taxin B | ChemIDplus |
| Citations |
|---|