Lolicine B
AlkaPlorer ID: AK025051
Synonym: '', 'Lolicine B'
IUPAC Name: (2S,3S,6S,8S,10R,11S,12R,15S,21R,25R)-10-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,22,22,24,24-hexamethyl-26-oxo-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-tetraene-11-carbaldehyde
Structure
SMILES: CC(C)(O)[C@@H]1C[C@@H](O)[C@]2(C=O)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2CC4=C(NC5=CC=C6C(=O)[C@@H]7[C@@H](CC6=C45)C(C)(C)OC7(C)C)[C@@]23C)O1
InChI: InChI=1S/C38H51NO6/c1-33(2,43)28-17-26(41)38(18-40)25-12-9-19-15-22-29-21-16-23-30(35(5,6)45-34(23,3)4)31(42)20(21)10-11-24(29)39-32(22)37(19,8)36(25,7)14-13-27(38)44-28/h10-11,18-19,23,25-28,30,39,41,43H,9,12-17H2,1-8H3/t19-,23+,25+,26+,27-,28-,30-,36-,37+,38+/m0/s1
InChIKey: PEJCOIYIVMELDV-GARPVJMRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lolium perenne | Lolium | Poaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 617.8270000000002
TPSA？: 108.85
MolLogP？: 5.841200000000006
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|