13,27-dimethoxy-7,22-dimethyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹?,¹?.1?,³?.1¹?,¹?.0³,?.0²?,³³.0²?,³²]heptatriaconta-1,3,10,12,14(37),16,18,25(33),26,28(32),30(34),35-dodecaen-22-ium-22-olate
AlkaPlorer ID: AK318683
Synonym: None
IUPAC Name: (8S,21S)-13,27-dimethoxy-7,22-dimethyl-22-oxido-15,29,31-trioxa-7-aza-22-azoniaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaene
Structure
SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)C[C@H]1C3=C4OC5=C(C=C6CCN(C)[C@@H](C2)C6=C5)OC4=C(OC)C=C3CC[N+]1(C)[O-]
InChI: InChI=1S/C36H36N2O6/c1-37-13-11-23-18-31-32-20-26(23)27(37)15-22-7-10-29(40-3)30(17-22)42-25-8-5-21(6-9-25)16-28-34-24(12-14-38(28,2)39)19-33(41-4)35(43-31)36(34)44-32/h5-10,17-20,27-28H,11-16H2,1-4H3/t27-,28-,38?/m0/s1
InChIKey: WHIDYDIXOICTAN-FMNPBKIESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cocculus trilobus | Cocculus | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 592.6920000000002
TPSA？: 72.45
MolLogP？: 7.263500000000007
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|