Geyerline
AlkaPlorer ID: AK045125
Synonym: '(+)-Geyerline'
IUPAC Name: [(1S,4S,5R,6S,8R,9R,10R,13S,16S,18S)-6-acetyloxy-11-ethyl-8,9-dihydroxy-4,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
Structure
SMILES: CCN1C[C@]2(COC(=O)C3=CC=CC=C3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@]34C5C[C@@H]6[C@@H](OC(C)=O)C[C@@](O)(C5[C@H]6OC)[C@@](O)([C@H]13)[C@@H](OC)C24
InChI: InChI=1S/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(47-4)37-23-15-22-25(51-20(3)41)16-36(45,28(23)29(22)48-5)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3/t19-,22+,23?,25-,26-,28?,29-,30?,31-,34+,35-,36+,37-,38-/m0/s1
InChIKey: JBEXWLNBXSCEPW-KKVPLLMRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium nuttallianum | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 710.8210000000005
TPSA？: 161.37
MolLogP？: 1.951800000000002
Number of H-Donors: 2
Number of H-Acceptors: 12
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Mus musculus | LD50 | 6.2 | mg.kg-1 | 10.1021/np0000116 |