meehanine L
AlkaPlorer ID: AK061116
Synonym: None
IUPAC Name: [(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[4-[(2S,11R)-11-acetyloxy-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(=O)O[C@@H]1CCN[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)CC(O)=NCCCNC1
InChI: InChI=1S/C37H51N3O14/c1-20-29(43)32(46)34(54-36-33(47)31(45)30(44)27(53-36)19-49-35(48)23-7-4-3-5-8-23)37(50-20)52-24-11-9-22(10-12-24)26-17-28(42)40-15-6-14-38-18-25(13-16-39-26)51-21(2)41/h3-5,7-12,20,25-27,29-34,36-39,43-47H,6,13-19H2,1-2H3,(H,40,42)/t20-,25+,26-,27+,29-,30+,31-,32+,33+,34+,36-,37-/m0/s1
InChIKey: ZOZODACRUKLCRI-BNUCKDLGSA-N
Reference
Meehanines L−W, Spermidine Alkaloidal Glycosides from <i>Meehania urticifolia</i>
PubChem CID: 44605334
LOTUS: LTS0049462
SuperNatural Ⅲ: SN0476368-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Meehania urticifolia | Meehania | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 761.8220000000001
TPSA？: 247.32
MolLogP？: -0.1257999999999936
Number of H-Donors: 8
Number of H-Acceptors: 16
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|