Annomuricatin B
AlkaPlorer ID: AK365301
Synonym: None
IUPAC Name: 2-[(3S,9S,12S,15S,18S,21S)-3-[(1R)-1-hydroxyethyl]-12-(1H-indol-3-ylmethyl)-15-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-18-yl]acetamide
Structure
SMILES: CC(C)C[C@@H]1N=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)[C@H](C)N=C(O)[C@H](CC(=N)O)N=C(O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)N=C(O)CN=C1O
InChI: InChI=1S/C35H49N9O9/c1-17(2)12-23-31(49)38-16-28(47)43-29(19(4)45)35(53)44-11-7-10-26(44)34(52)42-25(14-27(36)46)32(50)39-18(3)30(48)40-24(33(51)41-23)13-20-15-37-22-9-6-5-8-21(20)22/h5-6,8-9,15,17-19,23-26,29,37,45H,7,10-14,16H2,1-4H3,(H2,36,46)(H,38,49)(H,39,50)(H,40,48)(H,41,51)(H,42,52)(H,43,47)/t18-,19+,23-,24-,25-,26-,29-/m0/s1
InChIKey: DHPZPVONGOOZPQ-YOGBPHHOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Annona muricata | Annona | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 739.831
TPSA？: 295.95000000000005
MolLogP？: 3.6691700000000047
Number of H-Donors: 10
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Microsporum audouinii | Microsporum audouinii | MIC | 6.0 | ug.mL-1 | 10.1016/j.ejmech.2021.113221 |
| Mus musculus | Ehrlich | CC50 | 14100.0 | nM | 10.1016/j.ejmech.2021.113221 |
| Trichophyton mentagrophytes | Trichophyton mentagrophytes | MIC | 6.0 | ug.mL-1 | 10.1016/j.ejmech.2021.113221 |
| None | Unchecked | CC50 | 11600.0 | nM | 10.1016/j.ejmech.2021.113221 |