Neojerminalanine
AlkaPlorer ID: AK016283
Synonym: 'Neojerminalanine', '(-)-Neojerminalanine'
IUPAC Name: [(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16R,18S,19R,20S,22S,23S,25R)-20-acetyloxy-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-13-[(2S)-2-methylbutanoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2S)-2-hydroxy-2-methylbutanoate
Structure
SMILES: CC[C@H](C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]2C[C@]34O[C@]5(O)[C@@H](OC(=O)[C@@](C)(O)CC)C[C@H](OC(C)=O)[C@@]3(C)[C@@H]5C[C@@H](O)[C@H]4[C@@]21O
InChI: InChI=1S/C39H61NO13/c1-9-19(4)32(44)52-31-29(43)28-21(17-40-16-18(3)11-12-25(40)36(28,8)47)22-15-37-30(38(22,31)48)23(42)13-24-35(37,7)26(50-20(5)41)14-27(39(24,49)53-37)51-33(45)34(6,46)10-2/h18-19,21-31,42-43,46-49H,9-17H2,1-8H3/t18-,19-,21-,22-,23+,24-,25-,26-,27-,28+,29+,30+,31-,34-,35+,36+,37+,38-,39-/m0/s1
InChIKey: RCDFKDXMJYWZIU-PUCXWOGFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Veratrum album | Veratrum | Melanthiaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 751.9110000000002
TPSA？: 212.75
MolLogP？: 1.0364000000000029
Number of H-Donors: 6
Number of H-Acceptors: 14
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|