None
AlkaPlorer ID: AK323076
Synonym: None
IUPAC Name: (7S,10R,13R,16S)-10,16-dibenzyl-9,13-dimethyl-3,9,12,15,18-pentazatricyclo[17.4.0.03,7]tricosa-1(23),19,21-triene-2,8,11,14,17-pentone
Structure
SMILES: C[C@H]1N=C(O)[C@@H](CC2=CC=CC=C2)N(C)C(=O)[C@@H]2CCCN2C(=O)C2=CC=CC=C2N=C(O)[C@H](CC2=CC=CC=C2)N=C1O
InChI: InChI=1S/C34H37N5O5/c1-22-30(40)37-27(20-23-12-5-3-6-13-23)31(41)36-26-17-10-9-16-25(26)33(43)39-19-11-18-28(39)34(44)38(2)29(32(42)35-22)21-24-14-7-4-8-15-24/h3-10,12-17,22,27-29H,11,18-21H2,1-2H3,(H,35,42)(H,36,41)(H,37,40)/t22-,27+,28+,29-/m1/s1
InChIKey: DQANXPFOPIEFAD-KZNIJNHCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Arthrobacter sp. | Arthrobacter | Micrococcaceae | Micrococcales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 595.7000000000004
TPSA？: 138.39
MolLogP？: 4.875300000000004
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Staphylococcus aureus | Accessory gene regulator protein A | IC50 | 4400.0 | nM | 10.1021/acs.jnatprod.5b00540 |