Neoalatamine
AlkaPlorer ID: AK127327
Synonym: 'O2-benzoyl-O2,O6-dideacetyl-26-hydroxyevonimine', 'O6-Deacetylalatamine'
IUPAC Name: [(1S,3R,15R,18S,19S,20R,21R,22R,24R,25S,26R)-20,22-diacetyloxy-21-(acetyloxymethyl)-15,25,26-trihydroxy-3,15,26-trimethyl-6,16,23-trioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate
Structure
SMILES: CC(=O)OC[C@@]12[C@@H](OC(C)=O)C(=O)[C@@H]3[C@H](O)[C@@]14O[C@@]3(C)COC(=O)C1=CC=CN=C1CC[C@@](C)(O)C(=O)O[C@@H]([C@@H](OC(=O)C1=CC=CC=C1)[C@@H]2OC(C)=O)[C@@]4(C)O
InChI: InChI=1S/C39H43NO17/c1-19(41)51-18-38-29(53-20(2)42)26(44)25-28(45)39(38)37(6,50)30(27(31(38)54-21(3)43)55-32(46)22-11-8-7-9-12-22)56-34(48)35(4,49)15-14-24-23(13-10-16-40-24)33(47)52-17-36(25,5)57-39/h7-13,16,25,27-31,45,49-50H,14-15,17-18H2,1-6H3/t25-,27-,28+,29+,30+,31+,35-,36+,37-,38+,39+/m1/s1
InChIKey: DOPLLASTCBXBIS-NVMAISOYSA-N
Reference
Three sesquiterpene alkaloids from Euonymus alatus forma Striatus
PubChem CID: 162919530
LOTUS: LTS0112106
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euonymus alatus | Euonymus | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 797.7630000000004
TPSA？: 257.67999999999995
MolLogP？: 0.3380000000000028
Number of H-Donors: 3
Number of H-Acceptors: 18
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|