Salarin A; N7-De-Ac
AlkaPlorer ID: AK312811
Synonym: Salarin E
IUPAC Name: 4-[3-[2-(acetylcarbamoyloxy)-14-methyl-5,10,12-trioxo-4,18-dioxa-11-azabicyclo[15.1.0]octadeca-6,8,13-trien-3-yl]oxiran-2-yl]but-3-enyl octanoate
Structure
SMILES: CCCCCCCC(=O)OCCC=CC1OC1C1OC(=O)C=CC=CC(=O)NC(=O)C=C(C)CCC2OC2C1OC(=O)NC(C)=O
InChI: InChI=1S/C33H44N2O11/c1-4-5-6-7-8-15-27(39)42-19-12-11-13-23-29(43-23)31-32(46-33(41)34-22(3)36)30-24(44-30)18-17-21(2)20-26(38)35-25(37)14-9-10-16-28(40)45-31/h9-11,13-14,16,20,23-24,29-32H,4-8,12,15,17-19H2,1-3H3,(H,34,36,41)(H,35,37,38)
InChIKey: PVYVTDIZKCFPSG-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Fascaplysinopsis | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Fascaplysinopsis | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 644.7180000000003
TPSA？: 179.22999999999996
MolLogP？: 3.4196000000000017
Number of H-Donors: 2
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|