Meehanine I
AlkaPlorer ID: AK124192
Synonym: '(-)-Meehanine I'
IUPAC Name: [(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-2-[4-[(2R,11S)-11-hydroxy-9-[(2S)-2-methylbutanoyl]-4-oxo-1,5,9-triazacyclotridec-2-yl]phenoxy]-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (2S)-2-methylbutanoate
Structure
SMILES: CC[C@H](C)C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC=C([C@H]4CC(O)=NCCCN(C(=O)[C@@H](C)CC)C[C@@H](O)CCN4)C=C3)O[C@@H](C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C38H61N3O14/c1-6-20(3)35(49)41-16-8-14-40-28(43)17-26(39-15-13-24(42)18-41)23-9-11-25(12-10-23)53-38-34(32(47)29(44)22(5)52-38)55-37-33(48)31(46)30(45)27(54-37)19-51-36(50)21(4)7-2/h9-12,20-22,24,26-27,29-34,37-39,42,44-48H,6-8,13-19H2,1-5H3,(H,40,43)/t20-,21-,22-,24-,26+,27+,29-,30+,31-,32+,33+,34+,37-,38-/m0/s1
InChIKey: LAKJMQZPQITUGL-RMNUDBGTSA-N
Reference
Meehanines A−K, Spermidine Alkaloidal Glycosides from <i>Meehania urticifolia</i>
PubChem CID: 162974627
LOTUS: LTS0248031
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Meehania urticifolia | Meehania | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 783.9130000000007
TPSA？: 249.53
MolLogP？: 0.3208000000000058
Number of H-Donors: 8
Number of H-Acceptors: 15
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|