179798-47-1
AlkaPlorer ID: AK067118
Synonym: '87580-09-4'
IUPAC Name: methyl (5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxylate
Structure
SMILES: COC(=O)C1=NO[C@]2(C=C(Br)C(OC)=C(Br)[C@@H]2O)C1
InChI: InChI=1S/C11H11Br2NO5/c1-17-8-5(12)3-11(9(15)7(8)13)4-6(14-19-11)10(16)18-2/h3,9,15H,4H2,1-2H3/t9-,11+/m0/s1
InChIKey: BWARHGMOCWYQHN-GXSJLCMTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aplysina lacunosa | Aplysina | Aplysinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 397.01900000000006
TPSA？: 77.35000000000001
MolLogP？: 1.5806999999999998
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Alpha-chymotrypsin | Inhibition | None | % | 10.1021/acs.jnatprod.9b01286 |