(16Z)-16-ethylidene-18-(hydroxymethyl)-14,24-dimethyl-3-methylidene-4,6-dioxa-11,14,30,39-tetraazaundecacyclo[26.10.1.1¹³,¹?.0²,²?.0?,²?.0?,²³.0¹?,²².0¹²,²¹.0¹?,¹?.0²?,³?.0³¹,³?]tetraconta-7,9,12(21),22,29(37),31,33,35-octaen-14-ium
AlkaPlorer ID: AK325350
Synonym: None
IUPAC Name: [(16Z)-16-ethylidene-14,24-dimethyl-3-methylidene-4,6-dioxa-11,30,39-triaza-14-azoniaundecacyclo[26.10.1.113,17.02,26.05,25.07,23.010,22.012,21.014,19.029,37.031,36]tetraconta-7(23),8,10(22),12(21),29(37),31,33,35-octaen-18-yl]methanol
Structure
SMILES: C=C1OC2OC3=CC=C4NC5=C(CC6C(CO)C7CC5[N+]6(C)C/C7=C\C)C4=C3C(C)C2C2CC3NC(CC4=C3NC3=CC=CC=C43)C12
InChI: InChI=1S/C40H45N4O3/c1-5-20-16-44(4)31-15-25-37-28(43-39(25)32(44)14-22(20)26(31)17-45)10-11-33-35(37)18(2)34-24-13-30-38-23(21-8-6-7-9-27(21)42-38)12-29(41-30)36(24)19(3)46-40(34)47-33/h5-11,18,22,24,26,29-32,34,36,40-43,45H,3,12-17H2,1-2,4H3/q+1/b20-5+
InChIKey: PYPRVISVQWHLLM-DENHBWNVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gentiana macrophylla | Gentiana | Gentianaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 629.8250000000003
TPSA？: 82.30000000000001
MolLogP？: 6.523700000000007
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|