11-ethyl-3,8,9-trihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.1²,?.0¹,¹?.0³,?.0¹³,¹?]nonadecan-13-yl 2-aminobenzoate
AlkaPlorer ID: AK122450
Synonym: None
IUPAC Name: [(2S,3S,5R,6S,8S,9S,13S,17S)-11-ethyl-3,8,9-trihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-aminobenzoate
Structure
SMILES: CCN1C[C@]2(OC(=O)C3=CC=CC=C3N)CCC(OC)C34C1[C@@](O)(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)C2OC
InChI: InChI=1S/C30H42N2O8/c1-5-32-15-26(40-24(33)16-8-6-7-9-18(16)31)11-10-22(38-3)29-20-12-17-19(37-2)13-28(35,30(20,36)23(17)39-4)27(34,25(29)32)14-21(26)29/h6-9,17,19-23,25,34-36H,5,10-15,31H2,1-4H3/t17-,19+,20+,21-,22?,23?,25?,26-,27+,28+,29?,30+/m1/s1
InChIKey: XQLNSFNGDUVVBU-JLUYQVTISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia yunnanensis | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aconitum finetianum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 558.6720000000004
TPSA？: 143.94
MolLogP？: 0.9603000000000016
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|