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CHEBI:9188 - solanine
| Formula | C45H73NO15 |
| Net Charge | 0 |
| Average Mass | 868.071 |
| Monoisotopic Mass | 867.49802 |
| SMILES | [H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@]2([H])N3C[C@@H](C)CC[C@]3([H])[C@@H](C)[C@]12[H] |
| InChI | InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1 |
| InChIKey | ZGVSETXHNHBTRK-UDJLNJFBSA-N |
| Wikipedia |
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| Roles Classification |
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| 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. phytotoxin Any toxin produced by a plant. 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. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. 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 |
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| Outgoing Relation(s) |
| solanine (CHEBI:9188) has functional parent solanidine (CHEBI:28374) |
| solanine (CHEBI:9188) has role antineoplastic agent (CHEBI:35610) |
| solanine (CHEBI:9188) has role apoptosis inducer (CHEBI:68495) |
| solanine (CHEBI:9188) has role phytotoxin (CHEBI:38231) |
| solanine (CHEBI:9188) has role plant metabolite (CHEBI:76924) |
| solanine (CHEBI:9188) is a glycoalkaloid (CHEBI:195215) |
| solanine (CHEBI:9188) is a organic heterohexacyclic compound (CHEBI:51914) |
| solanine (CHEBI:9188) is a steroid saponin (CHEBI:61655) |
| solanine (CHEBI:9188) is a trisaccharide derivative (CHEBI:63571) |
| IUPAC Name |
|---|
| solanid-5-en-3β-yl 6-deoxy-α-L-mannopyranosyl-(1→2)-[β-D-glucopyranosyl-(1→3)]-β-D-galactopyranoside |
| Synonyms | Source |
|---|---|
| alpha-Solanin | ChemIDplus |
| Solanine | KEGG COMPOUND |
| α-solanine | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:77607 | Reaxys |
| CAS:20562-02-1 | KEGG COMPOUND |
| CAS:20562-02-1 | ChemIDplus |
| Citations |
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