None
AlkaPlorer ID: AK374641
Synonym: None
IUPAC Name: (2S)-4-[2,6-dibromo-4-[2-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]ethyl]phenoxy]-2-(dimethylamino)butanoic acid
Structure
SMILES: COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCC1=CC(Br)=C(OCC[C@@H](C(=O)O)N(C)C)C(Br)=C1)=NO2
InChI: InChI=1S/C24H27Br4N3O7/c1-31(2)17(23(34)35)5-7-37-19-13(25)8-12(9-14(19)26)4-6-29-22(33)16-11-24(38-30-16)10-15(27)20(36-3)18(28)21(24)32/h8-10,17,21,32H,4-7,11H2,1-3H3,(H,29,33)(H,34,35)/t17-,21-,24+/m0/s1
InChIKey: FCYHAFMTFFFJTM-CODAWKSHSA-N
Reference
Bromotyrosine-derived metabolites from the spongeAiolochroia crassa
PubChem CID: 100978262
LOTUS: LTS0137476
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aiolochroia crassa | Aiolochroia | Aplysinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 789.11
TPSA？: 129.92000000000002
MolLogP？: 4.075300000000003
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|