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CHEBI:181404 - Lolicine A
| Formula | C38H53NO5 |
| Net Charge | 0 |
| Average Mass | 603.844 |
| Monoisotopic Mass | 603.39237 |
| SMILES | [H][C@@]12CC[C@]3([H])[C@](C)(CC[C@]4([H])O[C@]([H])(C(C)(C)O)C[C@@H](O)[C@@]34C)[C@@]1(C)c1nc3ccc4c(c3c1C2)C[C@@]1([H])C(C)(C)OC(C)(C)[C@]1([H])C4=O |
| InChI | InChI=1S/C38H53NO5/c1-33(2,42)28-18-26(40)37(8)25-13-10-19-16-22-29-21-17-23-30(35(5,6)44-34(23,3)4)31(41)20(21)11-12-24(29)39-32(22)38(19,9)36(25,7)15-14-27(37)43-28/h11-12,19,23,25-28,30,39-40,42H,10,13-18H2,1-9H3/t19-,23+,25+,26+,27-,28-,30-,36-,37+,38+/m0/s1 |
| InChIKey | LUBQWHCYCGWUJS-GARPVJMRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Lolicine A (CHEBI:181404) is a organic heterotricyclic compound (CHEBI:26979) |
| Lolicine A (CHEBI:181404) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| (2S,3S,6S,8S,10R,11R,12R,15S,21R,25R)-10-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,11,22,22,24,24-heptamethyl-7,23-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.019,27.021,25]hentriaconta-1(17),18(30),19(27),28-tetraen-26-one |