UNPD14526
AlkaPlorer ID: AK318785
Synonym: None
IUPAC Name: (1R,9R,10R,11R,13S,14S,17R,25R,26R,27R,30S,33S,35R,36R,38E)-28,38-di(ethylidene)-14,30-dimethyl-8,24-diaza-14,30-diazoniadodecacyclo[25.5.2.211,14.11,26.110,17.02,7.09,25.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,18,20,22-hexaene-35,36-diol
Structure
SMILES: C/C=C1/C[N@+]2(C)CC[C@@]34C5=CC=CC=C5N5[C@H]6[C@@H]([C@@H]([C@H]1C[C@@H]32)[C@]54O)N1C2=CC=CC=C2[C@]23CC[N@@+]4(C)C/C(=C/C)[C@H](C[C@@H]24)[C@H]6[C@]13O
InChI: InChI=1S/C40H48N4O2/c1-5-23-21-43(3)17-15-37-27-11-7-10-14-30(27)42-36-34-26-20-32-38(16-18-44(32,4)22-24(26)6-2)28-12-8-9-13-29(28)41(40(34,38)46)35(36)33(39(37,42)45)25(23)19-31(37)43/h5-14,25-26,31-36,45-46H,15-22H2,1-4H3/q+2/b23-5-,24-6-/t25-,26-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,43-,44-/m0/s1
InChIKey: HVWCEUHZKLPKRE-VBHUBWESSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Megoura crassicauda | Megoura | Aphididae | Hemiptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 616.8500000000004
TPSA？: 46.94
MolLogP？: 4.273800000000005
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|