Serinocyclin A
AlkaPlorer ID: AK067230
Synonym: None
IUPAC Name: (6S,9R,16R,19S,22S,24R)-16-[(2S)-4-amino-2-hydroxybutyl]-24-hydroxy-6,9,19-tris(hydroxymethyl)spiro[1,4,7,10,14,17,20-heptazabicyclo[20.3.0]pentacosane-3,1'-cyclopropane]-2,5,8,11,15,18,21-heptone
Structure
SMILES: NCC[C@H](O)C[C@H]1N=C(O)[C@H](CO)N=C(O)[C@@H]2C[C@@H](O)CN2C(=O)C2(CC2)N=C(O)[C@H](CO)N=C(O)[C@@H](CO)N=C(O)CCN=C1O
InChI: InChI=1S/C27H44N8O12/c28-5-1-13(39)7-15-21(42)29-6-2-20(41)30-16(10-36)22(43)32-18(12-38)24(45)34-27(3-4-27)26(47)35-9-14(40)8-19(35)25(46)33-17(11-37)23(44)31-15/h13-19,36-40H,1-12,28H2,(H,29,42)(H,30,41)(H,31,44)(H,32,43)(H,33,46)(H,34,45)/t13-,14+,15+,16+,17-,18-,19-/m0/s1
InChIKey: RBBMDAKGTMLVAP-LPJTWDLVSA-N
Reference
Serinocyclins A and B, Cyclic Heptapeptides from <i>Metarhizium anisopliae</i>
PubChem CID: 24762344
LOTUS: LTS0265958
SuperNatural Ⅲ: SN0320577-01
NPASS: NPC275715
{NPAtlas: NPA015502
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Metarhizium anisopliae | Metarhizium | Clavicipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 672.6930000000002
TPSA？: 343.0200000000001
MolLogP？: -2.825399999999988
Number of H-Donors: 12
Number of H-Acceptors: 13
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aedes aegypti | Aedes aegypti | EC50 | 59.0 | ppm | 10.1021/np070407i |