Meehanine A
AlkaPlorer ID: AK047104
Synonym: '(-)-Meehanine A'
IUPAC Name: [(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[4-[(2R,11S)-11-acetyloxy-9-[(2S)-2-methylbutanoyl]-4-oxo-1,5,9-triazacyclotridec-2-yl]phenoxy]-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl benzoate
Structure
SMILES: CC[C@H](C)C(=O)N1CCCN=C(O)C[C@H](C2=CC=C(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@H](COC(=O)C4=CC=CC=C4)[C@@H](O)[C@H](O)[C@H]3O)C=C2)NCC[C@H](OC(C)=O)C1
InChI: InChI=1S/C42H59N3O15/c1-5-23(2)39(53)45-19-9-17-44-32(47)20-30(43-18-16-29(21-45)57-25(4)46)26-12-14-28(15-13-26)58-42-38(36(51)33(48)24(3)56-42)60-41-37(52)35(50)34(49)31(59-41)22-55-40(54)27-10-7-6-8-11-27/h6-8,10-15,23-24,29-31,33-38,41-43,48-52H,5,9,16-22H2,1-4H3,(H,44,47)/t23-,24-,29-,30+,31+,33-,34+,35-,36+,37+,38+,41-,42-/m0/s1
InChIKey: JHASEUWJNLLPAL-DRPGZPIHSA-N
Reference
Meehanines A−K, Spermidine Alkaloidal Glycosides from <i>Meehania urticifolia</i>
PubChem CID: 162960946
LOTUS: LTS0207796
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Meehania urticifolia | Meehania | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 845.9400000000003
TPSA？: 255.6
MolLogP？: 1.1593000000000044
Number of H-Donors: 7
Number of H-Acceptors: 16
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|