11-ethyl-2,3,8,9-tetrahydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.1²,?.0¹,¹?.0³,?.0¹³,¹?]nonadecan-13-yl 2-aminobenzoate
AlkaPlorer ID: AK075945
Synonym: None
IUPAC Name: [(2R,3R,5R,6S,8S,9S,13S,17S)-11-ethyl-2,3,8,9-tetrahydroxy-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@]4(O)[C@]1(O)C2OC
InChI: InChI=1S/C30H42N2O9/c1-5-32-15-25(41-23(33)16-8-6-7-9-18(16)31)11-10-21(39-3)29-20(25)14-26(34,24(29)32)27(35)13-19(38-2)17-12-28(29,36)30(27,37)22(17)40-4/h6-9,17,19-22,24,34-37H,5,10-15,31H2,1-4H3/t17-,19+,20-,21?,22?,24?,25-,26+,27+,28-,29?,30+/m1/s1
InChIKey: RWSQAGKPXAUFSH-PPVHBNEVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eupatorium semiserratum | Eupatorium | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Helianthus pumilus | Helianthus | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aconitum finetianum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 574.6710000000004
TPSA？: 164.17
MolLogP？: 0.0752000000000022
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|