Desmethylisaridin C1
AlkaPlorer ID: AK092732
Synonym: None
IUPAC Name: (3S,10S,13S,16S,19S)-16-benzyl-14-methyl-3,10-bis(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Structure
SMILES: CC(C)C[C@@H]1N=C(O)[C@H](C(C)C)N(C)C(=O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)OC(=O)CCN=C1O
InChI: InChI=1S/C35H53N5O7/c1-21(2)18-25-31(42)36-16-15-29(41)47-28(19-22(3)4)35(46)40-17-11-14-27(40)32(43)38-26(20-24-12-9-8-10-13-24)34(45)39(7)30(23(5)6)33(44)37-25/h8-10,12-13,21-23,25-28,30H,11,14-20H2,1-7H3,(H,36,42)(H,37,44)(H,38,43)/t25-,26-,27-,28-,30-/m0/s1
InChIKey: PQDIYZGMQUULNQ-KGEMVMTLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Beauveria felina | Beauveria | Cordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 655.8370000000001
TPSA？: 164.69000000000003
MolLogP？: 4.717500000000005
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Artemia salina | Artemia salina | Activity | nan | None | 10.1021/np4011037 |
| Escherichia coli | Escherichia coli | MIC | 8.0 | ug.mL-1 | 10.1021/np4011037 |