UNPD96046
AlkaPlorer ID: AK319175
Synonym: None
IUPAC Name: None
Structure
SMILES: O=C(O)CC(=O)OC[C@H]1O[C@@H](OC2=CC3=C(C=C2O)/[N+](=C\C=C2/C=C(C(=O)O)N[C@H](C(=O)O)C2)[C@H](C(=O)[O-])C3)[C@H](O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C27H28N2O16/c30-16-7-14-11(5-15(26(41)42)29(14)2-1-10-3-12(24(37)38)28-13(4-10)25(39)40)6-17(16)44-27-23(36)22(35)21(34)18(45-27)9-43-20(33)8-19(31)32/h1-3,6-7,13,15,18,21-23,27,34-36H,4-5,8-9H2,(H5,30,31,32,37,38,39,40,41,42)/t13-,15-,18+,21+,22-,23+,27+/m0/s1
InChIKey: BDLRBECIDGNTEK-JNIKQVIDSA-N
Reference
Betalains from Christmas cactus
LOTUS: LTS0189768
SuperNatural Ⅲ: SN0022564-01
NPASS: NPC218075
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stachys affinis | Stachys | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Acronychia pedunculata | Acronychia | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Stylocheilus longicauda | Stylocheilus | Aplysiidae | Aplysiida | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 636.5190000000003
TPSA？: 292.75
MolLogP？: -3.672699999999996
Number of H-Donors: 8
Number of H-Acceptors: 14
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|