Lolitrem A
AlkaPlorer ID: AK077060
Synonym: None
IUPAC Name: (1S,9R,13R,19S,22S,23S,25R,26R,28S,31S,33S,36R)-28-(3,3-dimethyloxiran-2-yl)-22-hydroxy-1,10,10,12,12,30,30,36-octamethyl-11,24,27,29,32-pentaoxa-3-azadecacyclo[17.17.0.02,17.04,16.07,15.09,13.022,36.023,25.023,33.026,31]hexatriaconta-2(17),4(16),5,7(15)-tetraen-8-one
Structure
SMILES: CC1(C)OC1[C@H]1O[C@H]2[C@H]3O[C@@]34[C@H](CC[C@@]3(C)[C@@]4(O)CC[C@H]4CC5=C(NC6=CC=C7C(=O)[C@@H]8[C@@H](CC7=C56)C(C)(C)OC8(C)C)[C@@]43C)O[C@@H]2C(C)(C)O1
InChI: InChI=1S/C42H55NO8/c1-35(2)23-18-21-20(28(44)27(23)36(3,4)51-35)11-12-24-26(21)22-17-19-13-16-41(45)39(9,40(19,10)30(22)43-24)15-14-25-42(41)32(49-42)29-31(46-25)37(5,6)50-34(47-29)33-38(7,8)48-33/h11-12,19,23,25,27,29,31-34,43,45H,13-18H2,1-10H3/t19-,23+,25-,27-,29+,31-,32+,33?,34-,39+,40+,41-,42-/m0/s1
InChIKey: PXJKIAMLVLKXQP-GTHCCFMRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Epichloe festucae | Epichloe | Clavicipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 701.9010000000001
TPSA？: 115.07
MolLogP？: 6.084000000000007
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|