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CHEBI:74633 - tanghinigenin
| Formula | C23H32O5 |
| Net Charge | 0 |
| Average Mass | 388.504 |
| Monoisotopic Mass | 388.22497 |
| SMILES | [H][C@@]12C[C@@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]3(O)[C@@]13O[C@H]3C2 |
| InChI | InChI=1S/C23H32O5/c1-20-6-3-15(24)10-14(20)11-18-23(28-18)17(20)5-7-21(2)16(4-8-22(21,23)26)13-9-19(25)27-12-13/h9,14-18,24,26H,3-8,10-12H2,1-2H3/t14-,15-,16+,17+,18-,20-,21+,22+,23+/m0/s1 |
| InChIKey | XHBYSYUHABSUKR-IZFNFCPSSA-N |
| Roles Classification |
|---|
| Biological Role: | 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) |
| tanghinigenin (CHEBI:74633) has role antineoplastic agent (CHEBI:35610) |
| tanghinigenin (CHEBI:74633) has role metabolite (CHEBI:25212) |
| tanghinigenin (CHEBI:74633) is a 14β-hydroxy steroid (CHEBI:36862) |
| tanghinigenin (CHEBI:74633) is a 3β-hydroxy steroid (CHEBI:36836) |
| tanghinigenin (CHEBI:74633) is a cardenolides (CHEBI:74634) |
| tanghinigenin (CHEBI:74633) is a epoxy steroid (CHEBI:145217) |
| tanghinigenin (CHEBI:74633) is a secondary alcohol (CHEBI:35681) |
| tanghinigenin (CHEBI:74633) is a tertiary alcohol (CHEBI:26878) |
| Incoming Relation(s) |
| deacetyltanghinin (CHEBI:66193) has functional parent tanghinigenin (CHEBI:74633) |
| tanghinin (CHEBI:66192) has functional parent tanghinigenin (CHEBI:74633) |
| IUPAC Names |
|---|
| (3β,5β,7α)-3,14-dihydroxy-7,8-epoxycard-20(22)-enolide |
| 3β,14-dihydroxy-5β,7β-7,8-epoxycard-20(22)-enolide |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1331216 | Reaxys |
| CAS:6875-16-7 | ChemIDplus |
| Citations |
|---|